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

• ChemBase ID: 310603
• Molecular Formular: C4H8N4S
• Molecular Mass: 144.19812
• Monoisotopic Mass: 144.04696728
• SMILES: s1c(nnc1CCN)N
• Canonical SMILES: NCCc1nnc(s1)N
• InChI: InChI=1S/C4H8N4S/c5-2-1-3-7-8-4(6)9-3/h1-2,5H2,(H2,6,8)
• InChIKey: KDOVSXBAMVUMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74784-47-7
• MDL Number: MFCD11109392

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.937365
• LogD (pH = 7.4): -2.9193218
• Log P: -0.9604364
• Molar Refractivity: 38.0627 cm^3
• Polarizability: 13.574052 Å^3
• Polar Surface Area: 77.82 Å^2