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

C17H13N7S — CID 118525835

IUPAC5-[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(-c5cncs5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7S/c1-9-6-19-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-18-8-25-14/h3-8H,1-2H3,(H,20,21)
InChIKeyVVXLORMZKYTCLZ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.41
Rot. Bonds2

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

5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole (PubChem CID 118525835) has the molecular formula C17H13N7S and a molecular weight of 347.41 g/mol. Its IUPAC name is 5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
PubChem CID118525835
Molecular FormulaC17H13N7S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name5-[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(-c5cncs5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7S/c1-9-6-19-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-18-8-25-14/h3-8H,1-2H3,(H,20,21)
InChIKeyVVXLORMZKYTCLZ-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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Frequently Asked Questions

What is the IUPAC name of 5-[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 5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole (CID 118525835) is 5-[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 5-[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 5-[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(-c5cncs5)[nH]c4c3)nc12.
What is the InChIKey of 5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is VVXLORMZKYTCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7S/c1-9-6-19-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-18-8-25-14/h3-8H,1-2H3,(H,20,21).
What are the key properties of 5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
5-[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 5-[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 118525835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).