1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide

C18H13N5OS — CID 2124742

IUPAC1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-19-11-12-25-18)15-20-16(13-7-3-1-4-8-13)23(22-15)14-9-5-2-6-10-14/h1-12H,(H,19,21,24)
InChIKeyHYFNMLWMRSZHJB-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.64
Rot. Bonds4

About 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide

1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 2124742) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID2124742
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-19-11-12-25-18)15-20-16(13-7-3-1-4-8-13)23(22-15)14-9-5-2-6-10-14/h1-12H,(H,19,21,24)
InChIKeyHYFNMLWMRSZHJB-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 865398
2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 1815686
2-(4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 649261
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
CID 651558
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082426
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2202285
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3214390
2-((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 7579802
4-[({5-[4-(acetylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9541172

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide (CID 2124742) is 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide is O=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is HYFNMLWMRSZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(21-18-19-11-12-25-18)15-20-16(13-7-3-1-4-8-13)23(22-15)14-9-5-2-6-10-14/h1-12H,(H,19,21,24).
What are the key properties of 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide?
1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).