5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine

• ChemBase ID: 308177
• Molecular Formular: C5H10N4S
• Molecular Mass: 158.2247
• Monoisotopic Mass: 158.06261734
• SMILES: s1c(nnc1CCCN)N
• Canonical SMILES: NCCCc1nnc(s1)N
• InChI: InChI=1S/C5H10N4S/c6-3-1-2-4-8-9-5(7)10-4/h1-3,6H2,(H2,7,9)
• InChIKey: RHIXDKZVUOGAJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine
• IUPAC Traditional name: 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine
• Synonyms: 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine

Database IDs

• CAS Number: 182125-23-1
• MDL Number: MFCD11109393

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.6917095
• LogD (pH = 7.4): -3.1674511
• Log P: -0.6717752
• Molar Refractivity: 42.8177 cm^3
• Polarizability: 15.39668 Å^3
• Polar Surface Area: 77.82 Å^2