SDF/Mol File of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide (C16H17N3O4S2)
Identification of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide Chemical Compound
Chemical Formula | C16H17N3O4S2 |
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Molecular Weight | 379.45388 g/mol |
IUPAC Name | N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide |
SMILES String | Cc3nc(CCNC(=O)c1ccc(cc1)N2C(=O)CCS2(=O)=O)cs3 |
InChI | InChI=1S/C16H17N3O4S2/c1-11-18-13(10-24-11)6-8-17-16(21)12-2-4-14(5-3-12)19-15(20)7-9-25(19,22)23/h2-5,10H,6-9H2,1H3,(H,17,21) |
InChIKey | IYCAUXMNQQQNIP-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide 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 N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide Molecule
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Chemical structure of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide is available in chemical structure page of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide
The molecular weight of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide is available in molecular weight page of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide, 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 N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide
The chemical formula of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide is given in chemical formula page of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide is:
InChI=1S/C16H17N3O4S2/c1-11-18-13(10-24-11)6-8-17-16(21)12-2-4-14(5-3-12)19-15(20)7-9-25(19,22)23/h2-5,10H,6-9H2,1H3,(H,17,21)
It can provide a standard way to encode the molecular information of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide 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 N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide is:
InChIKey=IYCAUXMNQQQNIP-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide
The N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide including the registry numbers are listed below, if available:
None available.
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide Identification Summary Frequently Asked Questions (FAQs)
What’s the N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide formula? |
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C16H17N3O4S2 |
How many atoms and what elements are included in the N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide molecule? |
42 atom(s) - 17 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are in the N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide structure? |
44 bond(s) - 27 non-H bond(s), 15 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 11 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aromatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Thiazole(s) |
What’s the N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide’s molar mass? |
379.45388 g/mol |
What’s the SMILES structure of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide? |
Cc3nc(CCNC(=O)c1ccc(cc1)N2C(=O)CCS2(=O)=O)cs3 |
What’s the InChI code of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide? |
InChI=1S/C16H17N3O4S2/c1-11-18-13(10-24-11)6-8-17-16(21)12-2-4-14(5-3-12)19-15(20)7-9-25(19,22)23/h2-5,10H,6-9H2,1H3,(H,17,21) |
What’s the InChIKey format of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-2-yl)benzamide? |
IYCAUXMNQQQNIP-UHFFFAOYSA-N |
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