2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide

C16H16N6O2S — CID 71702488

IUPAC2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2csc(NC3CC3)n2)n[nH]1
InChIInChI=1S/C16H16N6O2S/c1-24-12-5-3-2-4-10(12)13-19-15(22-21-13)20-14(23)11-8-25-16(18-11)17-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H2,19,20,21,22,23)
InChIKeyWFPVYLXCDLZYOL-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.76
Rot. Bonds6

About 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71702488) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID71702488
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2csc(NC3CC3)n2)n[nH]1
InChIInChI=1S/C16H16N6O2S/c1-24-12-5-3-2-4-10(12)13-19-15(22-21-13)20-14(23)11-8-25-16(18-11)17-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H2,19,20,21,22,23)
InChIKeyWFPVYLXCDLZYOL-UHFFFAOYSA-N
XLogP2.76
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 166235076
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55849670
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide (CID 71702488) is 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(NC(=O)c2csc(NC3CC3)n2)n[nH]1.
What is the InChIKey of 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WFPVYLXCDLZYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-24-12-5-3-2-4-10(12)13-19-15(22-21-13)20-14(23)11-8-25-16(18-11)17-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H2,19,20,21,22,23).
What are the key properties of 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71702488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).