2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole

C16H17N7S — CID 53244673

About 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole

2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole (PubChem CID 53244673) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole
• PubChem CID: 53244673
• Molecular Formula: C16H17N7S
• Molecular Weight: 339.43 g/mol
• Exact Mass: 339.13
• IUPAC Name: 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole
• SMILES: Cc1ncc(C)n2nc(CCc3cn(C)c(-c4nccs4)n3)nc12
• InChI: InChI=1S/C16H17N7S/c1-10-8-18-11(2)14-20-13(21-23(10)14)5-4-12-9-22(3)15(19-12)16-17-6-7-24-16/h6-9H,4-5H2,1-3H3
• InChIKey: JLPOJHQJBQSWON-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 73.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?

The IUPAC name of 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole (CID 53244673) is 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole.

What is the SMILES notation for 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?

The canonical SMILES for 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3cn(C)c(-c4nccs4)n3)nc12.

What is the InChIKey of 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?

The InChIKey is JLPOJHQJBQSWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10-8-18-11(2)14-20-13(21-23(10)14)5-4-12-9-22(3)15(19-12)16-17-6-7-24-16/h6-9H,4-5H2,1-3H3.

What are the key properties of 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole?

2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole has a molecular weight of 339.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 53244673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).