6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C11H9N3O3S — CID 55134432

IUPAC6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2nccs2)n1
InChIInChI=1S/C11H9N3O3S/c15-10(13-6-9-12-4-5-18-9)7-2-1-3-8(14-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyQCGXOXAUXUBYTP-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.17
Rot. Bonds4

About 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid

6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 55134432) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID55134432
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2nccs2)n1
InChIInChI=1S/C11H9N3O3S/c15-10(13-6-9-12-4-5-18-9)7-2-1-3-8(14-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17)
InChIKeyQCGXOXAUXUBYTP-UHFFFAOYSA-N
XLogP1.17
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-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 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 55134432) is 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCc2nccs2)n1.
What is the InChIKey of 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is QCGXOXAUXUBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(13-6-9-12-4-5-18-9)7-2-1-3-8(14-7)11(16)17/h1-5H,6H2,(H,13,15)(H,16,17).
What are the key properties of 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 55134432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).