SDF/Mol File of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide (C19H21FN4OS)
Identification of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide Chemical Compound
![2D chemical structure image of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide](http://static.molinstincts.com/compound_common/3-cyclopropyl-3-4-fluoro-3-methylphenyl-N-2-1-2-4-triazolo-3-2-b-1-3-2D-structure-CT1060638449.png)
| Chemical Formula | C19H21FN4OS |
|---|---|
| Molecular Weight | 372.459643 g/mol |
| IUPAC Name | 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide |
| SMILES String | Cc1cc(ccc1F)C(CC(=O)NCCc2csc3ncnn23)C4CC4 |
| InChI | InChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25) |
| InChIKey | ZHHSILBVFBOBEW-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide](http://static.molinstincts.com/compound_3d/3-cyclopropyl-3-4-fluoro-3-methylphenyl-N-2-1-2-4-triazolo-3-2-b-1-3-3D-structure-CT1060638449.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide Molecule
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Chemical structure of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is available in chemical structure page of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide
The molecular weight of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is available in molecular weight page of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide
The chemical formula of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is given in chemical formula page of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is:
InChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25)
It can provide a standard way to encode the molecular information of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide is:
InChIKey=ZHHSILBVFBOBEW-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide, but it needs to be linked to the full InChI to get back to the original structure of the 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide
The 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide including the registry numbers are listed below, if available:
None available.
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide formula? |
|---|
| C19H21FN4OS |
| How many atoms and what elements are included in the 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide molecule? |
| 47 atom(s) - 21 Hydrogen atom(s), 19 Carbon atom(s), 4 Nitrogen atom(s), 1 Oxygen atom(s), 1 Sulfur atom(s), and 1 Fluorine atom(s) |
| How many chemical bonds and what kind of bonds are in the 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide structure? |
| 50 bond(s) - 29 non-H bond(s), 16 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 15 aromatic bond(s), 1 three-membered ring(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 secondary amide(s) (aliphatic), 1 Thiazole(s), and 1 Triazole(s) |
| What’s the 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide’s molar mass? |
| 372.459643 g/mol |
| What’s the SMILES structure of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide? |
| Cc1cc(ccc1F)C(CC(=O)NCCc2csc3ncnn23)C4CC4 |
| What’s the InChI code of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide? |
| InChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25) |
| What’s the InChIKey format of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)propanamide? |
| ZHHSILBVFBOBEW-UHFFFAOYSA-N |
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