Ethyl 2-bromothiazole-4-carboxylate

C₆H₆BrNO₂SCAS 100367-77-9236.08 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

Identifiers

CAS number

100367-77-9

SMILES

CCOC(=O)C1=CSC(=N1)Br

InChIKey

CNHISCQPKKGDPO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Ethyl 2-bromo-1,3-thiazole-4-carboxylate

Work with Ethyl 2-bromothiazole-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

Diethyl 2,6-pyridinedicarboxylate15658-60-354 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-454 % similar Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate175276-93-448 % similar 6-Bromoimidazo[1,2-A]pyridine-2-carboxylic acid ethyl ester67625-37-047 % similar Ethyl oxazole-4-carboxylate23012-14-846 % similar Ethyl 2-pyridinecarboxylate2524-52-946 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-445 % similar Ethyl 4-bromobenzoate5798-75-445 % similar

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

Same formula

4-Bromobenzenesulfonamide701-34-8

Elsewhere

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