2-Amino-5-bromo-[1,3,4]thiadiazole

C₂H₂BrN₃SCAS 37566-39-5180.02 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₂H₂BrN₃S
Molar mass: 180.02 g/mol
Exact mass: 178.9153 Da
logP: 0.88Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin97.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.7% of notifiers

Aggregated from 43 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, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

37566-39-5

SMILES

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

InChIKey

GLYQQFBHCFPEEU-UHFFFAOYSA-N

InChI

InChI=1S/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)

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Names and synonyms

1 names

2-Amino-5-bromo-1,3,4-thiadiazole

Work with 2-Amino-5-bromo-[1,3,4]thiadiazole

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-5-(4-bromophenyl)-1,3,4-thiadiazole13178-12-642 % similar 5-Cyclopropyl-1,3,4-thiadiazol-2-amine57235-50-439 % similar 5-Propyl-1,3,4-thiadiazol-2-amine39223-04-637 % similar 4-Bromo-1,3-thiazol-2-amine502145-18-831 % similar 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole1014-25-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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