N-[(2S,4R,6S)-2-benzyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]acetamide

• ChemBase ID: 575608
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: c12n(c(c(n1)C)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)Cc1ccccc1)ccs2
• Canonical SMILES: CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@@H](C1)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C20H23N3O2S/c1-13-19(23-8-9-26-20(23)21-13)18-12-16(22-14(2)24)11-17(25-18)10-15-6-4-3-5-7-15/h3-9,16-18H,10-12H2,1-2H3,(H,22,24)/t16-,17+,18+/m1/s1
• InChIKey: KVQOOSBQOMZSQE-SQNIBIBYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-benzyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-benzyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]acetamide
• Synonyms: N-[(2S*,4R*,6S*)-2-benzyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.476183
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8711119
• LogD (pH = 7.4): 1.8829387
• Log P: 1.8830917
• Molar Refractivity: 113.0821 cm^3
• Polarizability: 39.160797 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.47
• LOG S: -3.15
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4