2-(2-amino-1,3-thiazol-4-yl)ethan-1-ol

• ChemBase ID: 307940
• Molecular Formular: C5H8N2OS
• Molecular Mass: 144.19482
• Monoisotopic Mass: 144.03573389
• SMILES: n1c(scc1CCO)N
• Canonical SMILES: Nc1nc(cs1)CCO
• InChI: InChI=1S/C5H8N2OS/c6-5-7-4(1-2-8)3-9-5/h3,8H,1-2H2,(H2,6,7)
• InChIKey: UMRNCFRWUPCKPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-1,3-thiazol-4-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2-amino-1,3-thiazol-4-yl)ethanol
• Synonyms: 2-(2-amino-1,3-thiazol-4-yl)ethanol

Database IDs

• CAS Number: 174666-17-2
• MDL Number: MFCD09971208

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.03900005
• LogD (pH = 7.4): 0.037424576
• Log P: 0.038497508
• Molar Refractivity: 36.4332 cm^3
• Polarizability: 13.528948 Å^3
• Polar Surface Area: 59.14 Å^2