Thiazole-2-carboxylic acid

C₄H₃NO₂SCAS 14190-59-1129.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₄H₃NO₂S
Molar mass: 129.13 g/mol
Exact mass: 128.9884 Da
logP: 0.84Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14190-59-1

SMILES

C1=CSC(=N1)C(=O)O

InChIKey

IJVLVRYLIMQVDD-UHFFFAOYSA-N

InChI

InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

1,3-Thiazole-2-carboxylic acid

Work with Thiazole-2-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

2-Acetylthiazole24295-03-253 % similar 2-Propionylthiazole43039-98-148 % similar Methyl thiazole-2-carboxylate55842-56-348 % similar 2,3-Pyrazinedicarboxylic acid89-01-046 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-644 % similar 5-Methylthiazole-2-carboxylic acid61291-21-244 % similar 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-544 % similar Pyrimidine-2-carboxylic acid31519-62-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiazole-5-carboxylic acid14527-41-4 4-Thiazolecarboxylic acid3973-08-8 2-Nitrothiophene609-40-5

Elsewhere

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