N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 470301
• Molecular Formular: C22H24N2O2S2
• Molecular Mass: 412.56816
• Monoisotopic Mass: 412.12792002
• SMILES: C(=O)(c1scnc1)N(Cc1cc(OCCc2sccc2)ccc1)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OCCc1cccs1)c1scnc1
• InChI: InChI=1S/C22H24N2O2S2/c25-22(21-14-23-16-28-21)24(18-6-1-2-7-18)15-17-5-3-8-19(13-17)26-11-10-20-9-4-12-27-20/h3-5,8-9,12-14,16,18H,1-2,6-7,10-11,15H2
• InChIKey: AFXKVTGYHOTQOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-cyclopentyl-N-{3-[2-(2-thienyl)ethoxy]benzyl}-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9099855
• LogD (pH = 7.4): 4.90999
• Log P: 4.90999
• Molar Refractivity: 113.7792 cm^3
• Polarizability: 43.401394 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.65
• LOG S: -6.21
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8