7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C18H15N5O3S — CID 177042732

IUPAC7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(O)c(C)c1-c1cn2nc(-c3nccs3)nc2c(C(=O)O)c1N
InChIInChI=1S/C18H15N5O3S/c1-8-3-4-11(24)9(2)12(8)10-7-23-16(13(14(10)19)18(25)26)21-15(22-23)17-20-5-6-27-17/h3-7,24H,19H2,1-2H3,(H,25,26)
InChIKeyWHEZMZJDHJJXSA-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.12
Rot. Bonds3

About 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 177042732) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID177042732
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(O)c(C)c1-c1cn2nc(-c3nccs3)nc2c(C(=O)O)c1N
InChIInChI=1S/C18H15N5O3S/c1-8-3-4-11(24)9(2)12(8)10-7-23-16(13(14(10)19)18(25)26)21-15(22-23)17-20-5-6-27-17/h3-7,24H,19H2,1-2H3,(H,25,26)
InChIKeyWHEZMZJDHJJXSA-UHFFFAOYSA-N
XLogP3.12
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 177042732) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1ccc(O)c(C)c1-c1cn2nc(-c3nccs3)nc2c(C(=O)O)c1N.
What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is WHEZMZJDHJJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-8-3-4-11(24)9(2)12(8)10-7-23-16(13(14(10)19)18(25)26)21-15(22-23)17-20-5-6-27-17/h3-7,24H,19H2,1-2H3,(H,25,26).
What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 381.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 177042732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).