N-[(2R,4R,6S)-2-cyclohexyl-6-(1,3-thiazol-2-yl)oxan-4-yl]acetamide

• ChemBase ID: 591984
• Molecular Formular: C16H24N2O2S
• Molecular Mass: 308.43896
• Monoisotopic Mass: 308.15584902
• SMILES: O1[C@H](c2nccs2)C[C@@H](C[C@@H]1C1CCCCC1)NC(=O)C
• Canonical SMILES: CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)c1nccs1)C1CCCCC1
• InChI: InChI=1S/C16H24N2O2S/c1-11(19)18-13-9-14(12-5-3-2-4-6-12)20-15(10-13)16-17-7-8-21-16/h7-8,12-15H,2-6,9-10H2,1H3,(H,18,19)/t13-,14-,15+/m1/s1
• InChIKey: UDQBCKMFVHDHPG-KFWWJZLASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-cyclohexyl-6-(1,3-thiazol-2-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-cyclohexyl-6-(1,3-thiazol-2-yl)oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-cyclohexyl-6-(1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.294793
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9969203
• LogD (pH = 7.4): 1.9970117
• Log P: 1.9970129
• Molar Refractivity: 82.1466 cm^3
• Polarizability: 32.507595 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.01
• LOG S: -2.31
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3