3-(2-Thiazolyl)propionic acid

C₆H₇NO₂SCAS 144163-65-5157.19 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₇NO₂S
Molar mass: 157.19 g/mol
Exact mass: 157.0197 Da
logP: 1.16Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

144163-65-5

SMILES

C1=CSC(=N1)CCC(=O)O

InChIKey

OJTQVDTVCPIZQH-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

3-(1,3-Thiazol-2-yl)propanoic acid

Work with 3-(2-Thiazolyl)propionic 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

3-(2-Thienyl)propanoic acid5928-51-849 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-847 % similar 2-Propylthiazole17626-75-447 % similar 1,4-Benzenedipropanoic acid4251-21-247 % similar 1,3-Thiazol-2-ylmethanol14542-12-245 % similar Phenylpropanoic acid501-52-043 % similar 3-Pyridinepropanoic acid3724-19-443 % similar 2-Thiophenebutanoic acid4653-11-643 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 L-α-(2-Thienyl)glycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

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