4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

C10H8N2O2S — CID 2763489

IUPAC4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKeyCJLQNROYBZEUGH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 2763489) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID2763489
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKeyCJLQNROYBZEUGH-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (CID 2763489) is 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cccnc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CJLQNROYBZEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 2763489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).