4-{2-[1-(2-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 314457
• Molecular Formular: C16H25N3O2S
• Molecular Mass: 323.4536
• Monoisotopic Mass: 323.16674806
• SMILES: c1(C(=O)N2C(CCN3CCOCC3)CCCC2)sc(nc1)C
• Canonical SMILES: Cc1ncc(s1)C(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C16H25N3O2S/c1-13-17-12-15(22-13)16(20)19-6-3-2-4-14(19)5-7-18-8-10-21-11-9-18/h12,14H,2-11H2,1H3
• InChIKey: ZLGNHZDGYZDQCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(2-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(2-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-(2-{1-[(2-methyl-1,3-thiazol-5-yl)carbonyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.56181496
• LogD (pH = 7.4): 0.8078155
• Log P: 0.95577216
• Molar Refractivity: 88.1342 cm^3
• Polarizability: 33.764545 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.03
• LOG S: -2.89
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4