N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 401641
• Molecular Formular: C27H27N3O2S
• Molecular Mass: 457.58718
• Monoisotopic Mass: 457.18239812
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1cc(OC2Cc3c(C2)cccc3)ccc1)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OC1Cc2c(C1)cccc2)c1cn2c(n1)scc2
• InChI: InChI=1S/C27H27N3O2S/c31-26(25-18-29-12-13-33-27(29)28-25)30(22-9-3-4-10-22)17-19-6-5-11-23(14-19)32-24-15-20-7-1-2-8-21(20)16-24/h1-2,5-8,11-14,18,22,24H,3-4,9-10,15-17H2
• InChIKey: QCZDYJGSHJEPAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-cyclopentyl-N-[3-(2,3-dihydro-1H-inden-2-yloxy)benzyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5113554
• LogD (pH = 7.4): 5.511387
• Log P: 5.5113873
• Molar Refractivity: 141.8486 cm^3
• Polarizability: 49.631058 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.31
• LOG S: -7.26
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6