1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-methoxypiperidine

• ChemBase ID: 588871
• Molecular Formular: C19H20FN3O3S
• Molecular Mass: 389.4438032
• Monoisotopic Mass: 389.12094074
• SMILES: n12c(C(=O)N3CC(OC)CCC3)csc1nc(c2)c1cc(c(cc1)OC)F
• Canonical SMILES: COC1CCCN(C1)C(=O)c1csc2n1cc(n2)c1ccc(c(c1)F)OC
• InChI: InChI=1S/C19H20FN3O3S/c1-25-13-4-3-7-22(9-13)18(24)16-11-27-19-21-15(10-23(16)19)12-5-6-17(26-2)14(20)8-12/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
• InChIKey: CFMKHLPPJBCANC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-methoxypiperidine
• IUPAC Traditional name: 1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-3-methoxypiperidine
• Synonyms: 6-(3-fluoro-4-methoxyphenyl)-3-[(3-methoxy-1-piperidinyl)carbonyl]imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.446355
• LogD (pH = 7.4): 2.4479196
• Log P: 2.4479396
• Molar Refractivity: 111.9602 cm^3
• Polarizability: 39.00216 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.55
• LOG S: -4.3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2