Ethyl 4-amino-2-(methylthio)-5-thiazolecarboxylate

C₇H₁₀N₂O₂S₂CAS 39736-29-3218.29 g/mol

Open in Covalent MOL file

Ester Primary amine Sulfide

Properties

Molecular formula: C₇H₁₀N₂O₂S₂
Molar mass: 218.29 g/mol
Exact mass: 218.0184 Da
Melting point: 100–102 °C
logP: 1.62Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

39736-29-3

SMILES

CCOC(=O)c1sc(SC)nc1N

InChIKey

WAFDSQXKSGGKCD-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S2/c1-3-11-6(10)4-5(8)9-7(12-2)13-4/h3,8H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

5-Thiazolecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
NSC 675697
4-Amino-2-(methylsulfanyl)thiazole-5-carboxylic acid ethyl ester

Work with Ethyl 4-amino-2-(methylthio)-5-thiazolecarboxylate

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 2-amino-4-methylthiazole-5-carboxylate7210-76-650 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-746 % similar Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-144 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-044 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-944 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-244 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-243 % similar Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate61830-21-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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