Cas no 3530-62-9 (N-phenyl-1,3,4-thiadiazol-2-amine)

N-Phenyl-1,3,4-thiadiazol-2-amine is a heterocyclic compound featuring a 1,3,4-thiadiazole core substituted with a phenylamino group at the 2-position. This structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and agrochemical research. The compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly those targeting antimicrobial, antifungal, and anticancer applications. Its rigid thiadiazole ring enhances stability and binding affinity in molecular interactions. Additionally, the phenylamino moiety allows for further functionalization, enabling tailored modifications for specific applications. The compound’s synthetic accessibility and structural adaptability make it a useful scaffold in medicinal chemistry and material science.
N-phenyl-1,3,4-thiadiazol-2-amine structure
3530-62-9 structure
Product Name:N-phenyl-1,3,4-thiadiazol-2-amine
CAS No:3530-62-9
MF:C8H7N3S
MW:177.226279497147
CID:311493
PubChem ID:767363
Update Time:2025-06-07

N-phenyl-1,3,4-thiadiazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Thiadiazol-2-amine,N-phenyl-
    • N-PHENYL-1,3,4-THIADIAZOL-2-AMINE
    • 2-Anilino-1,3,4-thiadiazol
    • 2-Phenylamino-1,3,4-thiadiazol
    • 2-phenylamino-1,3,4-thiadiazole
    • 2-Phenylamino-1,3,4-thiodiazol
    • AC1LG9H2
    • AC1Q4TO7
    • AC1Q4XHB
    • CTK4H4207
    • N-phenyl-1,3,4-thiadiazole-2-amine
    • Oprea1_090446
    • Phenyl-[1,3,4]thiadiazol-2-yl-amin
    • phenyl-[1,3,4]thiadiazol-2-yl-amine
    • SureCN1819182
    • HMS1717D05
    • phenyl-([1,3,4]thiadiazol-2-yl)-amine
    • BHJAUMXRPZNJEI-UHFFFAOYSA-N
    • EN300-10169
    • CS-0229942
    • anilino-1,3,4-thiadiazole
    • N-phenyl-N-(1,3,4-thiadiazol-2-yl)amine
    • SR-01000397824-1
    • 3530-62-9
    • Z56347187
    • AKOS001078319
    • (1,3,4-thiadiazol-2(3h)ylidene)aniline
    • SR-01000397824
    • SCHEMBL1819182
    • 1,3,4-Thiadiazol-2-amine, N-phenyl-
    • DTXSID20354254
    • N-phenyl-1,3,4-thiadiazol-2-amine
    • MDL: MFCD00807005
    • Inchi: 1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)
    • InChI Key: BHJAUMXRPZNJEI-UHFFFAOYSA-N
    • SMILES: S1C=NN=C1NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 177.03621
  • Monoisotopic Mass: 177.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.348
  • Boiling Point: 303.9°C at 760 mmHg
  • Flash Point: 137.6°C
  • Refractive Index: 1.689
  • PSA: 37.81

N-phenyl-1,3,4-thiadiazol-2-amine Pricemore >>

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N-phenyl-1,3,4-thiadiazol-2-amine Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethyl acetate ;  3 h, rt; 24 h, rt
Reference
Heterocyclization of thiocarbonohydrazides: Facile synthesis of 5-unsubstituted-1,3,4-thiadiazoles
Hassan, Alaa A.; et al, Chinese Chemical Letters, 2015, 26(9), 1183-1186

N-phenyl-1,3,4-thiadiazol-2-amine Raw materials

N-phenyl-1,3,4-thiadiazol-2-amine Preparation Products

N-phenyl-1,3,4-thiadiazol-2-amine Related Literature

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