N-methyl-5-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide

• ChemBase ID: 820606
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: C1(=O)N(Cc2c1cccc2)CCCCC(=O)N(C(c1nccs1)C)C
• Canonical SMILES: CN(C(c1nccs1)C)C(=O)CCCCN1Cc2c(C1=O)cccc2
• InChI: InChI=1S/C19H23N3O2S/c1-14(18-20-10-12-25-18)21(2)17(23)9-5-6-11-22-13-15-7-3-4-8-16(15)19(22)24/h3-4,7-8,10,12,14H,5-6,9,11,13H2,1-2H3
• InChIKey: JHEZTAWHLVAYEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
• IUPAC Traditional name: N-methyl-5-(1-oxo-3H-isoindol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
• Synonyms: N-methyl-5-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.298712
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.13613
• LogD (pH = 7.4): 2.1362956
• Log P: 2.1362975
• Molar Refractivity: 98.8819 cm^3
• Polarizability: 37.593708 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.91
• LOG S: -2.58
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7