2-Amino-5-bromo-4-methyl-1,3-thiazole

C₄H₅BrN₂SCAS 3034-57-9193.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₅BrN₂S
Molar mass: 193.06 g/mol
Exact mass: 191.9357 Da
Melting point: 105–108.5 °C (decomposes)
logP: 1.63Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3034-57-9

SMILES

Cc1[nH]c(=N)sc1Br

InChIKey

XZYIDZIGJVUTKE-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)

Weigh it out

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

Names and synonyms

7 names

5-Bromo-4-methyl-2-thiazolamine
2-Thiazolamine, 5-bromo-4-methyl-
Thiazole, 2-amino-5-bromo-4-methyl-
2-Amino-5-bromo-4-methylthiazole
2-Amino-4-methyl-5-bromothiazole
(5-Bromo-4-methylthiazol-2-yl)amine
5-Bromo-4-methylthiazol-2-amine

Work with 2-Amino-5-bromo-4-methyl-1,3-thiazole

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-Amino-4,5-dimethylthiazole hydrobromide7170-76-550 % similar Methyl 2-amino-5-bromothiazole-4-carboxylate850429-60-643 % similar 4-Bromo-1,3-benzothiazol-2-amine20358-02-537 % similar 2-Amino-4-methylbenzothiazole1477-42-536 % similar 5,6-Dimethyl-2-benzothiazolamine29927-08-035 % similar 5-Methyl-2-benzothiazolamine14779-17-033 % similar 2-Amino-6-bromobenzothiazole15864-32-133 % similar 5-Bromo-1,3-benzothiazol-2-amine20358-03-633 % similar

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

Elsewhere

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