2-(morpholin-3-yl)-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]acetamide

• ChemBase ID: 316551
• Molecular Formular: C16H19N3O2S
• Molecular Mass: 317.40596
• Monoisotopic Mass: 317.11979786
• SMILES: c1(c(scn1)CNC(=O)CC1NCCOC1)c1ccccc1
• Canonical SMILES: O=C(CC1NCCOC1)NCc1scnc1c1ccccc1
• InChI: InChI=1S/C16H19N3O2S/c20-15(8-13-10-21-7-6-17-13)18-9-14-16(19-11-22-14)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10H2,(H,18,20)
• InChIKey: BIPFFIOOYPEERS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.314899
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9600649
• LogD (pH = 7.4): 0.75653136
• Log P: 1.3288987
• Molar Refractivity: 85.3103 cm^3
• Polarizability: 34.63574 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.56
• LOG S: -1.99
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5