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

• ChemBase ID: 738249
• Molecular Formular: C19H25N5O3S
• Molecular Mass: 403.4985
• Monoisotopic Mass: 403.16781069
• SMILES: c1(c(n2c(n1)scc2)CN(Cc1onc(c1)C)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)Cc1onc(c1)C
• InChI: InChI=1S/C19H25N5O3S/c1-12-7-15(27-21-12)10-22(4)11-16-17(20-19-24(16)5-6-28-19)18(25)23-8-13(2)26-14(3)9-23/h5-7,13-14H,8-11H2,1-4H3/t13-,14+
• InChIKey: CCMVODSTSYABRX-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)(methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: 1-(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.26197731
• LogD (pH = 7.4): 1.0629472
• Log P: 1.0935308
• Molar Refractivity: 118.8681 cm^3
• Polarizability: 40.298042 Å^3
• Polar Surface Area: 76.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.05
• LOG S: -2.53
• Polar Surface Area: 76.11 Å^2
• Rotatable Bonds: 5