5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C11H9N3O3S — CID 113429061

IUPAC5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1cncs1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O3S/c15-10(14-5-8-4-12-6-18-8)7-1-2-9(11(16)17)13-3-7/h1-4,6H,5H2,(H,14,15)(H,16,17)
InChIKeyXFPPJTRSFGAGRQ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.17
Rot. Bonds4

About 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid

5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113429061) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113429061
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1cncs1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O3S/c15-10(14-5-8-4-12-6-18-8)7-1-2-9(11(16)17)13-3-7/h1-4,6H,5H2,(H,14,15)(H,16,17)
InChIKeyXFPPJTRSFGAGRQ-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 5-(1,3-thiazol-5-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

Related Compounds

5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
2-(1,3-thiazol-5-ylmethylamino)pyrimidine-4-carboxylic acid
CID 107554461
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 113429061) is 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCc1cncs1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is XFPPJTRSFGAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(14-5-8-4-12-6-18-8)7-1-2-9(11(16)17)13-3-7/h1-4,6H,5H2,(H,14,15)(H,16,17).
What are the key properties of 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
5-(1,3-thiazol-5-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 5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113429061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).