3-Phenyl-1,2,4-thiadiazol-5-amine

C₈H₇N₃SCAS 17467-15-1177.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇N₃S
Molar mass: 177.22 g/mol
Exact mass: 177.0361 Da
Melting point: 155 °C
logP: 1.62Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed81.8% of notifiers
H315 Causes skin irritation18.2% of notifiers
H319 Causes serious eye irritation18.2% of notifiers
H335 May cause respiratory irritation18.2% of notifiers
H412 Harmful to aquatic life with long lasting effects81.8% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17467-15-1

SMILES

N=c1nc(-c2ccccc2)[nH]s1

InChIKey

OYAHSBDYBOBAAQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)

Weigh it out

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

Names and synonyms

6 names

1,2,4-Thiadiazol-5-amine, 3-phenyl-
1,2,4-Thiadiazole, 5-amino-3-phenyl-
5-Amino-3-phenyl-1,2,4-thiadiazole
NSC 119930
(3-Phenyl-[1,2,4]thiadiazol-5-yl)amine
3-Phenyl-5-amino-1,2,4-thiadiazole

Work with 3-Phenyl-1,2,4-thiadiazol-5-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

Benzoguanamine91-76-941 % similar 3-(1-Methylethyl)-1,2,4-thiadiazol-5-amine32039-21-739 % similar 2-Phenylbenzimidazole716-79-038 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-637 % similar 2,4,5-Triphenylimidazole484-47-936 % similar Tris-biphenyl triazine31274-51-834 % similar 2,6-Diphenylpyridine3558-69-834 % similar 2-Phenylimidazole670-96-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Pyridin-4-yl-thiazol-2-ylamine30235-28-0 3-Mercapto-5-phenyl-1,2,4-triazole3414-94-6

Elsewhere

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