5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C9H5ClN2O2S — CID 53271819

IUPAC5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cccnc1Cl
InChIInChI=1S/C9H5ClN2O2S/c10-8-5(2-1-3-11-8)7-6(9(13)14)12-4-15-7/h1-4H,(H,13,14)
InChIKeySXUHGIOQPQMGBC-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.56
Rot. Bonds2

About 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 53271819) has the molecular formula C9H5ClN2O2S and a molecular weight of 240.67 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID53271819
Molecular FormulaC9H5ClN2O2S
Molecular Weight240.67 g/mol
Exact Mass239.98
IUPAC Name5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cccnc1Cl
InChIInChI=1S/C9H5ClN2O2S/c10-8-5(2-1-3-11-8)7-6(9(13)14)12-4-15-7/h1-4H,(H,13,14)
InChIKeySXUHGIOQPQMGBC-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-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 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 53271819) is 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1cccnc1Cl.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is SXUHGIOQPQMGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2S/c10-8-5(2-1-3-11-8)7-6(9(13)14)12-4-15-7/h1-4H,(H,13,14).
What are the key properties of 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53271819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).