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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-847 % similar 2-(4-Bromophenyl)benzothiazole19654-19-442 % similar 2-Amino-5-bromo-[1,3,4]thiadiazole37566-39-542 % similar 4,4''-Dibromo-P-terphenyl17788-94-241 % similar 4,4′-Dibromobiphenyl92-86-441 % similar 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine30363-03-239 % similar 4-(4-Bromophenyl)pyridine39795-60-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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