2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 557868
• Molecular Formular: C16H18N2OS
• Molecular Mass: 286.39192
• Monoisotopic Mass: 286.11398421
• SMILES: n1c(CC(=O)NC2c3c(CCC2)cccc3)csc1C
• Canonical SMILES: O=C(NC1CCCc2c1cccc2)Cc1csc(n1)C
• InChI: InChI=1S/C16H18N2OS/c1-11-17-13(10-20-11)9-16(19)18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,10,15H,4,6,8-9H2,1H3,(H,18,19)
• InChIKey: SLVKNRNXEILJLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.083763
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9073436
• LogD (pH = 7.4): 2.9086843
• Log P: 2.9087014
• Molar Refractivity: 80.156 cm^3
• Polarizability: 30.901285 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.06
• LOG S: -3.9
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3