1,3-Thiazole-4-Carboxylic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as thiazolecarboxylic acids. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group.

Thiazolecarboxylic acids

Organic compounds

Organoheterocyclic compounds

Azoles

Thiazoles

Calculated Property

kind Value Source
logP 0.56 ALOGPS
logS -1.6 ALOGPS
Water Solubility 3.39e+00 g/l ALOGPS
logP 0.68 ChemAxon
IUPAC Name 1,3-thiazole-4-carboxylic acid ChemAxon
Traditional IUPAC Name 1,3-thiazole-4-carboxylic acid ChemAxon
Molecular Weight 129.137 ChemAxon
Monoisotopic Weight 128.988449035 ChemAxon
SMILES OC(=O)C1=CSC=N1 ChemAxon
Molecular Formula C4H3NO2S ChemAxon
InChI InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7) ChemAxon
InChIKey InChIKey=HMVYYTRDXNKRBQ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 50.19 ChemAxon
Refractivity 28.15 ChemAxon
Polarizability 11.08 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 3.18 ChemAxon
pKa (strongest basic) 0.059 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon