7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H11N7OS — CID 4298592

About 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4298592) has the molecular formula C15H11N7OS and a molecular weight of 337.37 g/mol. Its IUPAC name is 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 4298592
• Molecular Formula: C15H11N7OS
• Molecular Weight: 337.37 g/mol
• Exact Mass: 337.07
• IUPAC Name: 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccnc2nc(C(=O)Nc3nc(-c4ccccn4)cs3)nn12
• InChI: InChI=1S/C15H11N7OS/c1-9-5-7-17-14-19-12(21-22(9)14)13(23)20-15-18-11(8-24-15)10-4-2-3-6-16-10/h2-8H,1H3,(H,18,20,23)
• InChIKey: JHCFYDPBUYIETB-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 97.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.37
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 4298592) is 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3nc(-c4ccccn4)cs3)nn12.

What is the InChIKey of 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is JHCFYDPBUYIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7OS/c1-9-5-7-17-14-19-12(21-22(9)14)13(23)20-15-18-11(8-24-15)10-4-2-3-6-16-10/h2-8H,1H3,(H,18,20,23).

What are the key properties of 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).