2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethan-1-one

• ChemBase ID: 568690
• Molecular Formular: C18H22N4O2S
• Molecular Mass: 358.45788
• Monoisotopic Mass: 358.14634696
• SMILES: c12=NCCn1c(CC(=O)N1CC(OCc3ncccc3)CCC1)cs2
• Canonical SMILES: O=C(N1CCCC(C1)OCc1ccccn1)Cc1csc2=NCCn12
• InChI: InChI=1S/C18H22N4O2S/c23-17(10-15-13-25-18-20-7-9-22(15)18)21-8-3-5-16(11-21)24-12-14-4-1-2-6-19-14/h1-2,4,6,13,16H,3,5,7-12H2
• InChIKey: YLPLOLWJNXEOLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• Synonyms: 3-{2-oxo-2-[3-(2-pyridinylmethoxy)-1-piperidinyl]ethyl}-5,6-dihydroimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.04306603
• LogD (pH = 7.4): 0.57955056
• Log P: 0.5974967
• Molar Refractivity: 98.8693 cm^3
• Polarizability: 37.80397 Å^3
• Polar Surface Area: 58.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.51
• LOG S: -0.95
• Polar Surface Area: 58.03 Å^2
• Rotatable Bonds: 5