1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

C12H10N6OS — CID 146130029

IUPAC1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C12H10N6OS/c13-11(19)10-6-18(17-16-10)5-8-7-20-12(15-8)9-3-1-2-4-14-9/h1-4,6-7H,5H2,(H2,13,19)
InChIKeyWLGFXQYEILZJGZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.94
Rot. Bonds4

About 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 146130029) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID146130029
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C12H10N6OS/c13-11(19)10-6-18(17-16-10)5-8-7-20-12(15-8)9-3-1-2-4-14-9/h1-4,6-7H,5H2,(H2,13,19)
InChIKeyWLGFXQYEILZJGZ-UHFFFAOYSA-N
XLogP0.94
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 146130029) is 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is NC(=O)c1cn(Cc2csc(-c3ccccn3)n2)nn1.
What is the InChIKey of 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is WLGFXQYEILZJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c13-11(19)10-6-18(17-16-10)5-8-7-20-12(15-8)9-3-1-2-4-14-9/h1-4,6-7H,5H2,(H2,13,19).
What are the key properties of 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 146130029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).