2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 190928
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: C1(c2c(OC)cccc2)(CC(=O)Nc2nccs2)CC(OCC1)(C)C
• Canonical SMILES: COc1ccccc1C1(CCOC(C1)(C)C)CC(=O)Nc1nccs1
• InChI: InChI=1S/C19H24N2O3S/c1-18(2)13-19(8-10-24-18,14-6-4-5-7-15(14)23-3)12-16(22)21-17-20-9-11-25-17/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,21,22)
• InChIKey: SYAXQOMRVZPBCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide

Database IDs

• PubChem SID: 164246838
• PubChem CID: 3830541

CALCULATED PROPERTIES

• Acid pKa: 10.773101
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1369345
• LogD (pH = 7.4): 3.136763
• Log P: 3.1369379
• Molar Refractivity: 99.0188 cm^3
• Polarizability: 37.974373 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds