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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 (4-bromothiophen-2-yl)carbamate868387-45-553 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-453 % similar 2-(Boc-amino)-5-bromopyridine159451-66-852 % similar tert-Butyl N-(thiophen-2-yl)carbamate56267-50-650 % similar 2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-949 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-848 % similar 4-(Boc-amino)-2-bromopyridine433711-95-648 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-2-amino-5-bromothiazole405939-39-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook