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

C17H13N7S — CID 129051760

IUPAC2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5nccs5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7S/c1-9-8-19-10(2)16-22-14(23-24(9)16)11-3-4-12-13(7-11)21-15(20-12)17-18-5-6-25-17/h3-8H,1-2H3,(H,20,21)
InChIKeyANKFMXLEHZORKJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.41
Rot. Bonds2

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

2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole (PubChem CID 129051760) has the molecular formula C17H13N7S and a molecular weight of 347.41 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]-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]-1,3-thiazole
PubChem CID129051760
Molecular FormulaC17H13N7S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5nccs5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7S/c1-9-8-19-10(2)16-22-14(23-24(9)16)11-3-4-12-13(7-11)21-15(20-12)17-18-5-6-25-17/h3-8H,1-2H3,(H,20,21)
InChIKeyANKFMXLEHZORKJ-UHFFFAOYSA-N
XLogP3.41
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-dimethyl-2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525812
2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129051764
3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
CID 136960291
2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525782
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
CID 82563290
2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline
CID 16731587
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
CID 91000697
2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole
CID 143026631

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]-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]-1,3-thiazole (CID 129051760) is 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-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]-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]-1,3-thiazole is Cc1ncc(C)n2nc(-c3ccc4nc(-c5nccs5)[nH]c4c3)nc12.
What is the InChIKey of 2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is ANKFMXLEHZORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7S/c1-9-8-19-10(2)16-22-14(23-24(9)16)11-3-4-12-13(7-11)21-15(20-12)17-18-5-6-25-17/h3-8H,1-2H3,(H,20,21).
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]-1,3-thiazole?
2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 347.41 g/mol, XLogP of 3.41, 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]-1,3-thiazole is sourced from PubChem (CID 129051760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).