Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate

C₇H₈BrNO₂SCAS 22900-83-0250.11 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₈BrNO₂S
Molar mass: 250.11 g/mol
Exact mass: 248.9459 Da
logP: 2.39Crippen 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

22900-83-0

SMILES

CCOC(=O)C1=C(N=C(S1)Br)C

InChIKey

CFBIOWPDDZPIDP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3

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Work with Ethyl 2-bromo-4-methyl-1,3-thiazole-5-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 2,4-dimethyl-5-thiazolecarboxylate7210-77-768 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-665 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-265 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-358 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-955 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-554 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-254 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-653 % similar

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

Same formula

4-Bromomethyl-benzenesulfonamide40724-47-8

Elsewhere

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