1,3-thiazole-2-carboxylic acid

C4H3NO2S — CID 2762733

IUPAC1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nccs1
InChIInChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
InChIKeyIJVLVRYLIMQVDD-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.84
Rot. Bonds1

About 1,3-thiazole-2-carboxylic acid

1,3-thiazole-2-carboxylic acid (PubChem CID 2762733) has the molecular formula C4H3NO2S and a molecular weight of 129.14 g/mol. Its IUPAC name is 1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name1,3-thiazole-2-carboxylic acid
PubChem CID2762733
Molecular FormulaC4H3NO2S
Molecular Weight129.14 g/mol
Exact Mass128.99
IUPAC Name1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nccs1
InChIInChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
InChIKeyIJVLVRYLIMQVDD-UHFFFAOYSA-N
XLogP0.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-thiazole-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

Methyl thiazole-2-carboxylate
CID 7567660
5-Chloro-1,3-thiazole-2-carboxylic acid
CID 53438974
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
Lithium(1+) ion 5-bromo-1,3-thiazole-2-carboxylate
CID 119031473
3-(1,3-Thiazol-2-yl)prop-2-ynoic acid
CID 131171922
Lithium(1+)5-iodo-1,3-thiazole-2-carboxylate
CID 167737338
Thiazole acetic acid
CID 67461844
1,3-Thiazol-2-ylmethanediol
CID 91164735
5-Bromothiazole-2-carboxylic acid
CID 45480406
Fluoro 1,3-thiazole-2-carboxylate
CID 67880229
1,3-Thiazole;2,2,2-trifluoroacetic acid
CID 69356067
Difluoromethyl 1,3-thiazole-2-carboperoxoate
CID 88482250

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carboxylic acid?
The IUPAC name of 1,3-thiazole-2-carboxylic acid (CID 2762733) is 1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 1,3-thiazole-2-carboxylic acid is O=C(O)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-carboxylic acid?
The InChIKey is IJVLVRYLIMQVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7).
What are the key properties of 1,3-thiazole-2-carboxylic acid?
1,3-thiazole-2-carboxylic acid has a molecular weight of 129.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 2762733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).