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

• ChemBase ID: 416202
• Molecular Formular: C19H26N6O2S
• Molecular Mass: 402.51374
• Monoisotopic Mass: 402.1837951
• SMILES: c1(nc2n(c1CNCc1nn(c(c1)C)C)ccs2)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)c1nc2n(c1CNCc1nn(c(c1)C)C)ccs2
• InChI: InChI=1S/C19H26N6O2S/c1-12-7-15(22-23(12)4)8-20-9-16-17(21-19-25(16)5-6-28-19)18(26)24-10-13(2)27-14(3)11-24/h5-7,13-14,20H,8-11H2,1-4H3/t13-,14+
• InChIKey: DTYYDLANEHCPEC-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,5-dimethyl-1H-pyrazol-3-yl)methyl]({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-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)[(1,5-dimethylpyrazol-3-yl)methyl]amine
• Synonyms: 1-(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.15087844
• LogD (pH = 7.4): 0.93591076
• Log P: 1.0034595
• Molar Refractivity: 131.1933 cm^3
• Polarizability: 41.014057 Å^3
• Polar Surface Area: 76.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.11
• LOG S: -4.7
• Polar Surface Area: 76.69 Å^2
• Rotatable Bonds: 5