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

C15H15N7S — CID 67258417

IUPAC2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4nccs4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-7-17-10(2)14-20-12(21-22(9)14)4-3-11-8-18-13(19-11)15-16-5-6-23-15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyKGUZMBWKBRKOIL-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.37
Rot. Bonds4

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

2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 67258417) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID67258417
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3cnc(-c4nccs4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-7-17-10(2)14-20-12(21-22(9)14)4-3-11-8-18-13(19-11)15-16-5-6-23-15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyKGUZMBWKBRKOIL-UHFFFAOYSA-N
XLogP2.37
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (CID 67258417) is 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3cnc(-c4nccs4)[nH]3)nc12.
What is the InChIKey of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is KGUZMBWKBRKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-9-7-17-10(2)14-20-12(21-22(9)14)4-3-11-8-18-13(19-11)15-16-5-6-23-15/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 325.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 67258417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).