4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C17H18N6S — CID 67258734

IUPAC4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1ccc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyADSLHRMINVAVAY-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.99
Rot. Bonds4

About 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 67258734) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID67258734
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1ccc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyADSLHRMINVAVAY-UHFFFAOYSA-N
XLogP2.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 67258734) is 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cc1ccc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12.
What is the InChIKey of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is ADSLHRMINVAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 338.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 67258734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).