[2-(morpholin-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanol

• ChemBase ID: 255142
• Molecular Formular: C14H16N2O2S
• Molecular Mass: 276.35404
• Monoisotopic Mass: 276.09324876
• SMILES: c1(nc(c(s1)CO)c1ccccc1)N1CCOCC1
• Canonical SMILES: OCc1sc(nc1c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C14H16N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,17H,6-10H2
• InChIKey: VGEHBNSWOWVQIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
• Synonyms: (2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanol

Database IDs

• MDL Number: MFCD08442501
• PubChem SID: 164311052
• PubChem CID: 16769319

CALCULATED PROPERTIES

• Acid pKa: 14.635926
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.603941
• LogD (pH = 7.4): 2.6039965
• Log P: 2.6039972
• Molar Refractivity: 75.607 cm^3
• Polarizability: 29.96773 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): 1.626

Product Information

• Purity: 95%