3-(4-hydroxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide

• ChemBase ID: 611015
• Molecular Formular: C16H20N2O2S
• Molecular Mass: 304.4072
• Monoisotopic Mass: 304.12454889
• SMILES: n1c(c(sc1)CCCNC(=O)CCc1ccc(cc1)O)C
• Canonical SMILES: O=C(CCc1ccc(cc1)O)NCCCc1scnc1C
• InChI: InChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)3-2-10-17-16(20)9-6-13-4-7-14(19)8-5-13/h4-5,7-8,11,19H,2-3,6,9-10H2,1H3,(H,17,20)
• InChIKey: SIFLOWXVGLCTRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
• IUPAC Traditional name: 3-(4-hydroxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
• Synonyms: 3-(4-hydroxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.505263
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5486574
• LogD (pH = 7.4): 2.545657
• Log P: 2.5490363
• Molar Refractivity: 84.373 cm^3
• Polarizability: 32.321545 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.64
• LOG S: -2.24
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7