2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine

• ChemBase ID: 501692
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: c12n(c(c(n1)C)CN1CC(OCC1)Cc1ccc(cc1)OC)ccs2
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C19H23N3O2S/c1-14-18(22-8-10-25-19(22)20-14)13-21-7-9-24-17(12-21)11-15-3-5-16(23-2)6-4-15/h3-6,8,10,17H,7,9,11-13H2,1-2H3
• InChIKey: NSLSLEGCKUDRNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methyl]-4-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)morpholine
• Synonyms: 5-{[2-(4-methoxybenzyl)-4-morpholinyl]methyl}-6-methylimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5304178
• LogD (pH = 7.4): 2.4413834
• Log P: 2.4827485
• Molar Refractivity: 111.0996 cm^3
• Polarizability: 38.308197 Å^3
• Polar Surface Area: 39.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.17
• LOG S: -3.37
• Polar Surface Area: 39.0 Å^2
• Rotatable Bonds: 4