4-(4-phenyl-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 243162
• Molecular Formular: C13H14N2OS
• Molecular Mass: 246.32806
• Monoisotopic Mass: 246.08268408
• SMILES: c1(nc(cs1)c1ccccc1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1scc(n1)c1ccccc1
• InChI: InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
• InChIKey: MRNNJVNMXOZEQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenyl-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(4-phenyl-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(4-phenyl-1,3-thiazol-2-yl)morpholine

Database IDs

• MDL Number: MFCD00628805
• PubChem SID: 164299072
• PubChem CID: 727584

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2387338
• LogD (pH = 7.4): 3.2389054
• Log P: 3.2389078
• Molar Refractivity: 69.007 cm^3
• Polarizability: 27.509588 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 2.632

Product Information

• Purity: 95%