2-Aminothiazole-4-carboxylic acid

C₄H₄N₂O₂SCAS 40283-41-8144.15 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₄N₂O₂S
Molar mass: 144.15 g/mol
Exact mass: 143.9993 Da
logP: 0.42Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

40283-41-8

SMILES

C1=C(N=C(S1)N)C(=O)O

InChIKey

FCLDUALXSYSMFB-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N2O2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8)

Weigh it out

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

Work with 2-Aminothiazole-4-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-Methyl-1,3-thiazole-4-carboxylic acid35272-15-258 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-858 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-958 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-353 % similar 2-Phenyl-4-carboxythiazole7113-10-251 % similar 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid21278-86-450 % similar Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate64987-08-246 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-carboxymethoxyiminoacetic acid74440-05-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-0 Thiobarbituric acid504-17-6

Elsewhere

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