2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C24H19N5OS — CID 134030786

About 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 134030786) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 134030786
• Molecular Formula: C24H19N5OS
• Molecular Weight: 425.52 g/mol
• Exact Mass: 425.13
• IUPAC Name: 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1nnc2ccccn12
• InChI: InChI=1S/C24H19N5OS/c1-16(22-28-27-19-14-8-9-15-29(19)22)25-23(30)21-20(17-10-4-2-5-11-17)26-24(31-21)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,30)
• InChIKey: CKSKRDAEWAPWFC-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 134030786) is 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1nnc2ccccn12.

What is the InChIKey of 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is CKSKRDAEWAPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16(22-28-27-19-14-8-9-15-29(19)22)25-23(30)21-20(17-10-4-2-5-11-17)26-24(31-21)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,30).

What are the key properties of 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?

2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).