6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H15N5OS — CID 121263190

About 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 121263190) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• PubChem CID: 121263190
• Molecular Formula: C18H15N5OS
• Molecular Weight: 349.42 g/mol
• Exact Mass: 349.10
• IUPAC Name: 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• SMILES: Cc1cccc(-c2cc(C(=O)Nc3nc(C)cs3)c3nncn3c2)c1
• InChI: InChI=1S/C18H15N5OS/c1-11-4-3-5-13(6-11)14-7-15(16-22-19-10-23(16)8-14)17(24)21-18-20-12(2)9-25-18/h3-10H,1-2H3,(H,20,21,24)
• InChIKey: ACBVCBUYFSVECS-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.42
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The IUPAC name of 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 121263190) is 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

What is the SMILES notation for 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The canonical SMILES for 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3nc(C)cs3)c3nncn3c2)c1.

What is the InChIKey of 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The InChIKey is ACBVCBUYFSVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-4-3-5-13(6-11)14-7-15(16-22-19-10-23(16)8-14)17(24)21-18-20-12(2)9-25-18/h3-10H,1-2H3,(H,20,21,24).

What are the key properties of 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 121263190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).