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

• ChemBase ID: 307403
• Molecular Formular: C5H9N3S
• Molecular Mass: 143.21006
• Monoisotopic Mass: 143.0517183
• SMILES: n1nc(sc1CCN)C
• Canonical SMILES: Cc1nnc(s1)CCN
• InChI: InChI=1S/C5H9N3S/c1-4-7-8-5(9-4)2-3-6/h2-3,6H2,1H3
• InChIKey: NMSMMEJJXLUOFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
• Synonyms: 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

Database IDs

• CAS Number: 847155-17-3
• MDL Number: MFCD16556108

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6627097
• LogD (pH = 7.4): -2.6024783
• Log P: -0.69269574
• Molar Refractivity: 38.3297 cm^3
• Polarizability: 14.163719 Å^3
• Polar Surface Area: 51.8 Å^2