chempirical

Thiazole-5-carboxylic acid

C4H3NO2SCAS 14527-41-4129.13 g/mol

Open in Covalent MOL file
OHONS
Carboxylic acid

Properties

Molecular formula
C4H3NO2S
Molar mass
129.13 g/mol
Exact mass
128.9884 Da
Melting point
196–197 °C
Boiling point
107–108 °C (at 10 Torr)
logP
0.84Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14527-41-4
SMILES
O=C(O)c1cncs1
InChIKey
YZVFSQQHQPPKNX-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 5-Thiazolecarboxylic acid
  • RU 22154
  • 1,3-Thiazole-5-carboxylic acid

Work with Thiazole-5-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 1,3-thiazole-5-carboxylate14527-44-748 % similar 2,5-Thiophenedicarboxylic acid4282-31-946 % similar Ethyl thiazole-5-carboxylate32955-22-946 % similar 4-Methyl-2-thiophenecarboxylic acid14282-78-145 % similar Thiophene-2-carboxylic acid527-72-045 % similar 5-Pyrimidinecarboxylic acid4595-61-345 % similar 2-Methyl-5-thiazolecarboxylic acid40004-69-144 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Thiazole-2-carboxylic acid14190-59-1 4-Thiazolecarboxylic acid3973-08-8 2-Nitrothiophene609-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook