(2R,6S)-2,6-dimethyl-4-[5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]morpholine

• ChemBase ID: 687483
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: c1(c(n2c(n1)scc2)CN1CCOCC1)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(c1CN1CCOCC1)ccs2
• InChI: InChI=1S/C17H24N4O3S/c1-12-9-20(10-13(2)24-12)16(22)15-14(11-19-3-6-23-7-4-19)21-5-8-25-17(21)18-15/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3/t12-,13+
• InChIKey: JDOFDPHUISQXAI-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethyl-4-[5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]morpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethyl-4-[5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]morpholine
• Synonyms: 6-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]carbonyl}-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5747628
• LogD (pH = 7.4): 0.7322138
• Log P: 0.73464054
• Molar Refractivity: 107.419 cm^3
• Polarizability: 36.597515 Å^3
• Polar Surface Area: 59.31 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: 0.31
• LOG S: -3.43
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 3