4-Bromo-1,3-thiazol-2-amine

C₃H₃BrN₂SCAS 502145-18-8179.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₃H₃BrN₂S
Molar mass: 179.04 g/mol
Exact mass: 177.9200 Da
logP: 1.49Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

502145-18-8

SMILES

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

InChIKey

QJPQUNWGOHADOB-UHFFFAOYSA-N

InChI

InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)

Weigh it out

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

Names and synonyms

1 names

2-Amino-4-bromothiazole

Work with 4-Bromo-1,3-thiazol-2-amine

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

2,4-Dibromothiazole4175-77-352 % similar 4-Bromo-2-methyl-1,3-thiazole298694-30-148 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-847 % similar 4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-amine34801-14-444 % similar (4-Bromo-1,3-thiazol-2-yl)methanol204513-31-543 % similar 4-tert-Butyl-1,3-thiazol-2-amine74370-93-743 % similar 4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-042 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-bromothiazole3034-22-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook