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SDF/Mol File of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide (C17H15FN6OS)

Identification of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide Chemical Compound

2D chemical structure image of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide
Chemical Formula C17H15FN6OS
Molecular Weight 370.404003 g/mol
IUPAC Name 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide
SMILES String Cc1cc(ccc1F)c2cc([nH]n2)C(=O)NCCc3csc4ncnn34
InChI InChI=1S/C17H15FN6OS/c1-10-6-11(2-3-13(10)18)14-7-15(23-22-14)16(25)19-5-4-12-8-26-17-20-9-21-24(12)17/h2-3,6-9H,4-5H2,1H3,(H,19,25)(H,22,23)
InChIKey OHXASWNWYAXTFR-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide 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-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide 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-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide
Ball-and-stick model of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide Molecule

  • Other names (synonyms) or registry numbers of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide

    The 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide including the registry numbers are listed below, if available:



    None available.


3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide formula?
C17H15FN6OS
How many atoms and what elements are included in the 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide molecule?
41 atom(s) - 15 Hydrogen atom(s), 17 Carbon atom(s), 6 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-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide structure?
44 bond(s) - 29 non-H bond(s), 21 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 20 aromatic bond(s), 3 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 secondary amide(s) (aromatic), 1 Pyrazole(s), 1 Thiazole(s), and 1 Triazole(s)
What’s the 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide’s molar mass?
370.404003 g/mol
What’s the SMILES structure of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide?
Cc1cc(ccc1F)c2cc([nH]n2)C(=O)NCCc3csc4ncnn34
What’s the InChI code of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide?
InChI=1S/C17H15FN6OS/c1-10-6-11(2-3-13(10)18)14-7-15(23-22-14)16(25)19-5-4-12-8-26-17-20-9-21-24(12)17/h2-3,6-9H,4-5H2,1H3,(H,19,25)(H,22,23)
What’s the InChIKey format of 3-(4-fluoro-3-methylphenyl)-N-(2-{[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}ethyl)-1H-pyrazole-5-carboxamide?
OHXASWNWYAXTFR-UHFFFAOYSA-N

30 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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