Ethyl 1,3-thiazole-4-carboxylate

C₆H₇NO₂SCAS 14527-43-6157.19 g/mol

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Properties

Molecular formula: C₆H₇NO₂S
Molar mass: 157.19 g/mol
Exact mass: 157.0197 Da
logP: 1.32Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

14527-43-6

SMILES

CCOC(=O)C1=CSC=N1

InChIKey

XDOKFEJMEJKVGX-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S/c1-2-9-6(8)5-3-10-4-7-5/h3-4H,2H2,1H3

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Names and synonyms

1 names

Ethyl thiazole-4-carboxylate

Work with Ethyl 1,3-thiazole-4-carboxylate

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

Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-457 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-954 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-654 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-353 % similar Ethyl oxazole-4-carboxylate23012-14-853 % similar Ethyl 2-pyridinecarboxylate2524-52-953 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-251 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-351 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 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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