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

C16H15N7S — CID 71076134

IUPAC2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(C=Cc3cn(C)c(-c4nccs4)n3)nc12
InChIInChI=1S/C16H15N7S/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/h4-9H,1-3H3
InChIKeyKHPWTLRWSNQNSX-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.77
Rot. Bonds3

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

2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole (PubChem CID 71076134) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole
PubChem CID71076134
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(C=Cc3cn(C)c(-c4nccs4)n3)nc12
InChIInChI=1S/C16H15N7S/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/h4-9H,1-3H3
InChIKeyKHPWTLRWSNQNSX-UHFFFAOYSA-N
XLogP2.77
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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)ethenyl]-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)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole (CID 71076134) is 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-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)ethenyl]-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)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole is Cc1ncc(C)n2nc(C=Cc3cn(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)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole?
The InChIKey is KHPWTLRWSNQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/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/h4-9H,1-3H3.
What are the key properties of 2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole?
2-[4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole has a molecular weight of 337.41 g/mol, XLogP of 2.77, 3 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)ethenyl]-1-methylimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 71076134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).