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

• ChemBase ID: 270649
• Molecular Formular: C6H10N2OS
• Molecular Mass: 158.2214
• Monoisotopic Mass: 158.05138395
• SMILES: n1c(scc1C)NCCO
• Canonical SMILES: Cc1csc(n1)NCCO
• InChI: InChI=1S/C6H10N2OS/c1-5-4-10-6(8-5)7-2-3-9/h4,9H,2-3H2,1H3,(H,7,8)
• InChIKey: ZWTUJTPMHCSJSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11118543
• PubChem SID: 164326559
• PubChem CID: 29046248

CALCULATED PROPERTIES

• Acid pKa: 14.978979
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22134458
• LogD (pH = 7.4): 0.23022045
• Log P: 0.2303349
• Molar Refractivity: 41.8173 cm^3
• Polarizability: 15.350964 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.768

Product Information

• Purity: 95%