N-cyclopentyl-4-{4-[(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]piperidin-1-yl}benzamide

• ChemBase ID: 687910
• Molecular Formular: C24H31N5OS
• Molecular Mass: 437.60084
• Monoisotopic Mass: 437.22493164
• SMILES: c12n(cc(n1)CCNC1CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC1)ccs2
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCc1nc2n(c1)ccs2)NC1CCCC1
• InChI: InChI=1S/C24H31N5OS/c30-23(26-20-3-1-2-4-20)18-5-7-22(8-6-18)28-13-10-19(11-14-28)25-12-9-21-17-29-15-16-31-24(29)27-21/h5-8,15-17,19-20,25H,1-4,9-14H2,(H,26,30)
• InChIKey: QDNWPJHMAZCHGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-{4-[(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]piperidin-1-yl}benzamide
• IUPAC Traditional name: N-cyclopentyl-4-{4-[(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]piperidin-1-yl}benzamide
• Synonyms: N-cyclopentyl-4-{4-[(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)amino]-1-piperidinyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.793376
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.20059071
• LogD (pH = 7.4): 0.6454111
• Log P: 3.0170288
• Molar Refractivity: 137.2755 cm^3
• Polarizability: 47.626183 Å^3
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.97
• LOG S: -6.46
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7