N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

• ChemBase ID: 665982
• Molecular Formular: C17H21N3OS
• Molecular Mass: 315.43314
• Monoisotopic Mass: 315.14053331
• SMILES: n1c(scc1CCCNC(=O)CC1c2c(CC1)cccc2)N
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCCCc1csc(n1)N
• InChI: InChI=1S/C17H21N3OS/c18-17-20-14(11-22-17)5-3-9-19-16(21)10-13-8-7-12-4-1-2-6-15(12)13/h1-2,4,6,11,13H,3,5,7-10H2,(H2,18,20)(H,19,21)
• InChIKey: IYKNFZLQKCXSAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
• IUPAC Traditional name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
• Synonyms: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.570282
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.592468
• LogD (pH = 7.4): 2.6539006
• Log P: 2.6547465
• Molar Refractivity: 89.4 cm^3
• Polarizability: 33.961338 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.09
• LOG S: -3.28
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 6