N-Boc-2-amino-5-bromothiazole

C₈H₁₁BrN₂O₂SCAS 405939-39-1279.15 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₈H₁₁BrN₂O₂S
Molar mass: 279.15 g/mol
Exact mass: 277.9725 Da
logP: 3.25Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

405939-39-1

SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)Br

InChIKey

OIBKBVFFZYCBAQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)

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

Names and synonyms

1 names

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

Work with N-Boc-2-amino-5-bromothiazole

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

2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-962 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-453 % similar 2-(Boc-amino)-5-bromopyridine159451-66-852 % 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 tert-Butyl (4-bromothiophen-2-yl)carbamate868387-45-547 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-5

Elsewhere

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