5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine

• ChemBase ID: 309348
• Molecular Formular: C5H10N4S
• Molecular Mass: 158.2247
• Monoisotopic Mass: 158.06261734
• SMILES: s1c(nnc1N)C(N)(C)C
• Canonical SMILES: Nc1nnc(s1)C(N)(C)C
• InChI: InChI=1S/C5H10N4S/c1-5(2,7)3-8-9-4(6)10-3/h7H2,1-2H3,(H2,6,9)
• InChIKey: NQDVFRNQGHUBHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine
• IUPAC Traditional name: 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine
• Synonyms: 5-(1-amino-1-methylethyl)-1,3,4-thiadiazol-2-amine

Database IDs

• CAS Number: 1255147-42-2
• MDL Number: MFCD18064559

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.638478
• LogD (pH = 7.4): -0.94804704
• Log P: -0.19591904
• Molar Refractivity: 42.5705 cm^3
• Polarizability: 15.474592 Å^3
• Polar Surface Area: 77.82 Å^2