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

C17H12N6OS — CID 8891885

IUPAC2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H12N6OS/c24-16(14-10-19-23(22-14)12-6-2-1-3-7-12)21-17-20-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,20,21,24)
InChIKeyGQESHPMPYWBYQZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.04
Rot. Bonds4

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

2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 8891885) has the molecular formula C17H12N6OS and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID8891885
Molecular FormulaC17H12N6OS
Molecular Weight348.39 g/mol
Exact Mass348.08
IUPAC Name2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H12N6OS/c24-16(14-10-19-23(22-14)12-6-2-1-3-7-12)21-17-20-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,20,21,24)
InChIKeyGQESHPMPYWBYQZ-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 8891885) is 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is GQESHPMPYWBYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS/c24-16(14-10-19-23(22-14)12-6-2-1-3-7-12)21-17-20-15(11-25-17)13-8-4-5-9-18-13/h1-11H,(H,20,21,24).
What are the key properties of 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
2-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 2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 8891885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).