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

• ChemBase ID: 267563
• Molecular Formular: C13H14N2OS
• Molecular Mass: 246.32806
• Monoisotopic Mass: 246.08268408
• SMILES: n1c(scc1c1ccccc1)C1OCCNC1
• Canonical SMILES: C1COC(CN1)c1scc(n1)c1ccccc1
• InChI: InChI=1S/C13H14N2OS/c1-2-4-10(5-3-1)11-9-17-13(15-11)12-8-14-6-7-16-12/h1-5,9,12,14H,6-8H2
• InChIKey: YZFGSIUOHSCTRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17976978
• PubChem SID: 164323473
• PubChem CID: 50986281

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.24677224
• LogD (pH = 7.4): 1.8974941
• Log P: 2.2900853
• Molar Refractivity: 67.4254 cm^3
• Polarizability: 27.912472 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.592

Product Information

• Purity: 95%