5-[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 71059790

IUPAC5-[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(-c4cncs4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-5-17-10(2)15-20-13(21-22(9)15)4-3-11-6-18-14(19-11)12-7-16-8-23-12/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyZSKBVNUGGHGCRV-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.37
Rot. Bonds4

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

5-[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 71059790) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-[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 Name5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID71059790
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name5-[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(-c4cncs4)[nH]3)nc12
InChIInChI=1S/C15H15N7S/c1-9-5-17-10(2)15-20-13(21-22(9)15)4-3-11-6-18-14(19-11)12-7-16-8-23-12/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyZSKBVNUGGHGCRV-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 5-[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 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (CID 71059790) is 5-[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 5-[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 5-[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(-c4cncs4)[nH]3)nc12.
What is the InChIKey of 5-[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 ZSKBVNUGGHGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-9-5-17-10(2)15-20-13(21-22(9)15)4-3-11-6-18-14(19-11)12-7-16-8-23-12/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
5-[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 5-[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 71059790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).