chempirical

tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate

C8H11BrN2O2SCAS 1094070-77-5279.15 g/mol

Open in Covalent MOL file
OOHNNSBr
Aryl halideCarbamate

Properties

Molecular formula
C8H11BrN2O2S
Molar mass
279.15 g/mol
Exact mass
277.9725 Da
logP
3.25Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
1094070-77-5
SMILES
CC(C)(C)OC(=O)NC1=CN=C(S1)Br
InChIKey
DXTQRJCFSNCPMD-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12)

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Names and synonyms

1 names
  • tert-Butyl 2-bromothiazol-5-ylcarbamate

Work with tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate

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

tert-Butyl N-(4-bromophenyl)-carbamate131818-17-248 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-742 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-241 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-941 % similar tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-637 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-837 % similar 1-Boc-4-bromopyrazole1150271-23-037 % similar Boc-3-aminobenzoic acid111331-82-936 % similar

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

Elsewhere

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