1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

C17H12N6OS — CID 86929338

IUPAC1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H12N6OS/c24-16(14-10-23(22-21-14)12-6-2-1-3-7-12)20-17-19-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,19,20,24)
InChIKeyDDWWOLROSHIKAU-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.04
Rot. Bonds4

About 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 86929338) has the molecular formula C17H12N6OS and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID86929338
Molecular FormulaC17H12N6OS
Molecular Weight348.39 g/mol
Exact Mass348.08
IUPAC Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H12N6OS/c24-16(14-10-23(22-21-14)12-6-2-1-3-7-12)20-17-19-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,19,20,24)
InChIKeyDDWWOLROSHIKAU-UHFFFAOYSA-N
XLogP3.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 177207565
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
(1-phenyltriazol-4-yl)-pyridin-2-ylmethanone
CID 132534234
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 176859269
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 86929338) is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is DDWWOLROSHIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS/c24-16(14-10-23(22-21-14)12-6-2-1-3-7-12)20-17-19-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,19,20,24).
What are the key properties of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 86929338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).