N-cyclopentyl-2-methyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 467095
• Molecular Formular: C23H26N2O2S2
• Molecular Mass: 426.59474
• Monoisotopic Mass: 426.14357008
• SMILES: c1(C(=O)N(Cc2cc(OCCc3sccc3)ccc2)C2CCCC2)nc(sc1)C
• Canonical SMILES: Cc1scc(n1)C(=O)N(C1CCCC1)Cc1cccc(c1)OCCc1cccs1
• InChI: InChI=1S/C23H26N2O2S2/c1-17-24-22(16-29-17)23(26)25(19-7-2-3-8-19)15-18-6-4-9-20(14-18)27-12-11-21-10-5-13-28-21/h4-6,9-10,13-14,16,19H,2-3,7-8,11-12,15H2,1H3
• InChIKey: HYAUIKLZNPKZOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-methyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-methyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-cyclopentyl-2-methyl-N-{3-[2-(2-thienyl)ethoxy]benzyl}-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2864623
• LogD (pH = 7.4): 5.2864656
• Log P: 5.2864656
• Molar Refractivity: 118.0638 cm^3
• Polarizability: 45.15408 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.14
• LOG S: -7.35
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8