6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C19H17N5OS — CID 121263028

IUPAC6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1cc(C)cc(-c2cc(C(=O)Nc3nc(C)cs3)c3ncnn3c2)c1
InChIInChI=1S/C19H17N5OS/c1-11-4-12(2)6-14(5-11)15-7-16(17-20-10-21-24(17)8-15)18(25)23-19-22-13(3)9-26-19/h4-10H,1-3H3,(H,22,23,25)
InChIKeyHJYDDJSWZOUOFK-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.03
Rot. Bonds3

About 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 121263028) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID121263028
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1cc(C)cc(-c2cc(C(=O)Nc3nc(C)cs3)c3ncnn3c2)c1
InChIInChI=1S/C19H17N5OS/c1-11-4-12(2)6-14(5-11)15-7-16(17-20-10-21-24(17)8-15)18(25)23-19-22-13(3)9-26-19/h4-10H,1-3H3,(H,22,23,25)
InChIKeyHJYDDJSWZOUOFK-UHFFFAOYSA-N
XLogP4.03
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 121263028) is 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1cc(C)cc(-c2cc(C(=O)Nc3nc(C)cs3)c3ncnn3c2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is HJYDDJSWZOUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-4-12(2)6-14(5-11)15-7-16(17-20-10-21-24(17)8-15)18(25)23-19-22-13(3)9-26-19/h4-10H,1-3H3,(H,22,23,25).
What are the key properties of 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 121263028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).