2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazole

C₈H₆BrN₃SCAS 13178-12-6256.12 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₆BrN₃S
Molar mass: 256.12 g/mol
Exact mass: 254.9466 Da
logP: 2.55Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

13178-12-6

SMILES

C1=CC(=CC=C1C2=NN=C(S2)N)Br

InChIKey

KNFZBJVESBZZMI-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)

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Names and synonyms

1 names

5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine

Work with 2-Amino-5-(4-bromophenyl)-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-methoxyphenyl)-1,3,4-thiadiazole1014-25-157 % similar 2-(4-Bromophenyl)benzothiazole19654-19-442 % similar 4,4′-Dibromobiphenyl92-86-441 % similar 4-(4-Bromophenyl)pyridine39795-60-338 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-037 % similar 4-Bromoaniline106-40-137 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-835 % similar 1,4-Dibromobenzene106-37-635 % similar

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

Elsewhere

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