(2-amino-4,5-dihydro-1,3-thiazol-5-yl)methanol

• ChemBase ID: 306779
• Molecular Formular: C4H8N2OS
• Molecular Mass: 132.18412
• Monoisotopic Mass: 132.03573389
• SMILES: C1(=NCC(S1)CO)N
• Canonical SMILES: NC1=NCC(S1)CO
• InChI: InChI=1S/C4H8N2OS/c5-4-6-1-3(2-7)8-4/h3,7H,1-2H2,(H2,5,6)
• InChIKey: NLELTLKPWJALGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-4,5-dihydro-1,3-thiazol-5-yl)methanol
• IUPAC Traditional name: (2-amino-4,5-dihydro-1,3-thiazol-5-yl)methanol
• Synonyms: (2-amino-4,5-dihydro-1,3-thiazol-5-yl)methanol

Database IDs

• CAS Number: 67917-69-5
• MDL Number: MFCD01332387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.953458
• LogD (pH = 7.4): -2.2077024
• Log P: -0.5645837
• Molar Refractivity: 33.6852 cm^3
• Polarizability: 12.978305 Å^3
• Polar Surface Area: 58.61 Å^2