chempirical

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

C8H7N3SCAS 17467-15-1177.22 g/mol

Open in Covalent MOL file
HNNNHS

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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

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)

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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

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 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-834 % similar 2,6-Diphenylpyridine3558-69-834 % similar 2-Phenylimidazole670-96-234 % similar 2-Amino-4-phenylthiazole2010-06-234 % similar

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

Same formula

3-Mercapto-5-phenyl-1,2,4-triazole3414-94-6

Elsewhere

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