N-(2-hydroxyethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 674123
• Molecular Formular: C17H29N3O2S
• Molecular Mass: 339.49606
• Monoisotopic Mass: 339.19804818
• SMILES: C(=O)(N(Cc1nccs1)CCO)CC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: OCCN(C(=O)CC1CC(C)(C)NC(C1)(C)C)Cc1nccs1
• InChI: InChI=1S/C17H29N3O2S/c1-16(2)10-13(11-17(3,4)19-16)9-15(22)20(6-7-21)12-14-18-5-8-23-14/h5,8,13,19,21H,6-7,9-12H2,1-4H3
• InChIKey: SGFHXQZQJJGGHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-(2-hydroxyethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573437
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3631058
• LogD (pH = 7.4): -1.9399648
• Log P: 0.8698769
• Molar Refractivity: 92.8203 cm^3
• Polarizability: 36.523014 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.81
• LOG S: -4.08
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6