2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole

C18H15N7S — CID 129051781

IUPAC2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)s1
InChIInChI=1S/C18H15N7S/c1-9-7-19-11(3)17-23-15(24-25(9)17)12-4-5-13-14(6-12)22-16(21-13)18-20-8-10(2)26-18/h4-8H,1-3H3,(H,21,22)
InChIKeyXYUBPZIQKORLBE-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.72
Rot. Bonds2

About 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole

2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole (PubChem CID 129051781) has the molecular formula C18H15N7S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole
PubChem CID129051781
Molecular FormulaC18H15N7S
Molecular Weight361.43 g/mol
Exact Mass361.11
IUPAC Name2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)s1
InChIInChI=1S/C18H15N7S/c1-9-7-19-11(3)17-23-15(24-25(9)17)12-4-5-13-14(6-12)22-16(21-13)18-20-8-10(2)26-18/h4-8H,1-3H3,(H,21,22)
InChIKeyXYUBPZIQKORLBE-UHFFFAOYSA-N
XLogP3.72
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole (CID 129051781) is 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole is Cc1cnc(-c2nc3ccc(-c4nc5c(C)ncc(C)n5n4)cc3[nH]2)s1.
What is the InChIKey of 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole?
The InChIKey is XYUBPZIQKORLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S/c1-9-7-19-11(3)17-23-15(24-25(9)17)12-4-5-13-14(6-12)22-16(21-13)18-20-8-10(2)26-18/h4-8H,1-3H3,(H,21,22).
What are the key properties of 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole?
2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole has a molecular weight of 361.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 129051781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).