Ethyl 5-bromo-1,3-thiazole-4-carboxylate

C₆H₆BrNO₂SCAS 61830-23-7236.08 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₆BrNO₂S
Molar mass: 236.08 g/mol
Exact mass: 234.9303 Da
logP: 2.08Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61830-23-7

SMILES

CCOC(=O)C1=C(SC=N1)Br

InChIKey

QKZGUSXVOYLZTM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3

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Names and synonyms

1 names

Ethyl 5-bromothiazole-4-carboxylate

Work with Ethyl 5-bromo-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

Methyl 5-bromothiazole-4-carboxylate913836-22-367 % similar Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate61830-21-555 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-253 % similar Ethyl2-bromothiophene-3-carboxylate632325-50-953 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-650 % similar 4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-649 % similar Ethyl thiazole-5-carboxylate32955-22-948 % similar Ethyl 5-bromopicolinate77199-09-847 % similar

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

Same formula

Ethyl 2-bromothiazole-4-carboxylate100367-77-9 Ethyl 2-bromothiazole-5-carboxylate41731-83-3 4-Bromobenzenesulfonamide701-34-8 3-Bromobenzene-1-sulfonamide89599-01-9

Elsewhere

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