4-[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 67259021

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

4-[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 67259021) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 4-[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: 4-[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: 67259021
• Molecular Formula: C16H17N7S
• Molecular Weight: 339.43 g/mol
• Exact Mass: 339.13
• IUPAC Name: 4-[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(-c4cscn4)n3)nc12
• InChI: InChI=1S/C16H17N7S/c1-10-6-17-11(2)15-20-14(21-23(10)15)5-4-12-7-22(3)16(19-12)13-8-24-9-18-13/h6-9H,4-5H2,1-3H3
• InChIKey: SIWJOOBIZXREJL-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 4-[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 4-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-2-yl]-1,3-thiazole (CID 67259021) is 4-[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 4-[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 4-[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(-c4cscn4)n3)nc12.

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

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

4-[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 4-[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 67259021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).