({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-3-ylmethyl)methylamine

• ChemBase ID: 520044
• Molecular Formular: C19H24N4O3S
• Molecular Mass: 388.48386
• Monoisotopic Mass: 388.15691165
• SMILES: c1(c(n2c(n1)scc2)CN(Cc1cocc1)C)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: CN(Cc1c(nc2n1ccs2)C(=O)N1C[C@H](C)O[C@@H](C1)C)Cc1cocc1
• InChI: InChI=1S/C19H24N4O3S/c1-13-8-22(9-14(2)26-13)18(24)17-16(23-5-7-27-19(23)20-17)11-21(3)10-15-4-6-25-12-15/h4-7,12-14H,8-11H2,1-3H3/t13-,14+
• InChIKey: JQWYGWMGECNGJF-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-3-ylmethyl)methylamine
• IUPAC Traditional name: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-3-ylmethyl)methylamine
• Synonyms: 1-(6-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-furylmethyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5941284
• LogD (pH = 7.4): 1.7389978
• Log P: 1.8178596
• Molar Refractivity: 115.4705 cm^3
• Polarizability: 39.388035 Å^3
• Polar Surface Area: 63.22 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: 2.14
• LOG S: -3.86
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 5