N-cyclopentyl-2-{[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amino}propanamide

• ChemBase ID: 319441
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: n1c(sc(c1C)CNC(C(=O)NC1CCCC1)C)c1ccccc1
• Canonical SMILES: O=C(C(NCc1sc(nc1C)c1ccccc1)C)NC1CCCC1
• InChI: InChI=1S/C19H25N3OS/c1-13-17(24-19(21-13)15-8-4-3-5-9-15)12-20-14(2)18(23)22-16-10-6-7-11-16/h3-5,8-9,14,16,20H,6-7,10-12H2,1-2H3,(H,22,23)
• InChIKey: OKLBNRYRLDEPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.364373
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0320309
• LogD (pH = 7.4): 2.744263
• Log P: 3.2971501
• Molar Refractivity: 107.7022 cm^3
• Polarizability: 38.715893 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.29
• LOG S: -4.51
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 6