Methyl 2-bromothiazole-5-carboxylate

C5H4BrNO2SCAS 54045-74-8222.06 g/mol

Open in Covalent MOL file
OONSBr
Aryl halideEster

Properties

Molecular formula
C5H4BrNO2S
Molar mass
222.06 g/mol
Exact mass
220.9146 Da
logP
1.69Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
54045-74-8
SMILES
COC(=O)C1=CN=C(S1)Br
InChIKey
HNLVIKMXFBRZDF-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3

Weigh it out

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

Work with Methyl 2-bromothiazole-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-bromothiazole-5-carboxylate41731-83-365 % similar Methyl 2-aminothiazole-5-carboxylate6633-61-061 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-053 % similar Methyl 5-bromothiophene-2-carboxylate62224-19-551 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-049 % similar Methyl 1,3-thiazole-5-carboxylate14527-44-749 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-449 % similar Methyl 4-bromothieno(2,3-c)pyridine-2-carboxylate145325-40-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-bromothiazole-4-carboxylate170235-26-4 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-6 Methyl 5-bromothiazole-4-carboxylate913836-22-3

Elsewhere

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