(2R,6S)-4-[1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2,6-dimethylmorpholine

• ChemBase ID: 402323
• Molecular Formular: C18H29N3O2S
• Molecular Mass: 351.50676
• Monoisotopic Mass: 351.19804818
• SMILES: c1(C(=O)N2CCC(N3C[C@@H](O[C@@H](C3)C)C)CC2)c(nc(s1)C)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N1CCC(CC1)N1C[C@H](C)O[C@@H](C1)C)C
• InChI: InChI=1S/C18H29N3O2S/c1-5-16-17(24-14(4)19-16)18(22)20-8-6-15(7-9-20)21-10-12(2)23-13(3)11-21/h12-13,15H,5-11H2,1-4H3/t12-,13+
• InChIKey: INROOQZLOXFQHG-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-[1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-[1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2,6-dimethylmorpholine
• Synonyms: (2R*,6S*)-4-{1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-4-piperidinyl}-2,6-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.74277776
• LogD (pH = 7.4): 1.0125369
• Log P: 1.6588969
• Molar Refractivity: 96.9446 cm^3
• Polarizability: 37.3528 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -2.82
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3