(2R,6S)-2,6-dimethyl-4-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}morpholine

• ChemBase ID: 313297
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c1(c(n2c(n1)scc2)CN1C[C@@H](O[C@@H](C1)C)C)C(=O)N1CCCC1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)Cc1c(nc2n1ccs2)C(=O)N1CCCC1
• InChI: InChI=1S/C17H24N4O2S/c1-12-9-19(10-13(2)23-12)11-14-15(16(22)20-5-3-4-6-20)18-17-21(14)7-8-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3/t12-,13+
• InChIKey: QPNLNINLBXRFNX-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethyl-4-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}morpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethyl-4-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}morpholine
• Synonyms: 5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.90024596
• LogD (pH = 7.4): 1.3487984
• Log P: 1.3589385
• Molar Refractivity: 105.8855 cm^3
• Polarizability: 35.86985 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.19
• LOG S: -2.17
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3