N-(5-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

• ChemBase ID: 163363
• Molecular Formular: C20H27N3O5S2Si
• Molecular Mass: 481.66098
• Monoisotopic Mass: 481.11613951
• SMILES: c1cccc2c1C(=C(N(S2(=O)=O)C)C(=O)Nc1sc(cn1)CO[Si](C)(C)C(C)(C)C)O
• Canonical SMILES: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ncc(s1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C20H27N3O5S2Si/c1-20(2,3)31(5,6)28-12-13-11-21-19(29-13)22-18(25)16-17(24)14-9-7-8-10-15(14)30(26,27)23(16)4/h7-11,24H,12H2,1-6H3,(H,21,22,25)
• InChIKey: DPGUGUUSGGZPDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ^6,2-benzothiazine-3-carboxamide
• IUPAC Traditional name: N-(5-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ^6,2-benzothiazine-3-carboxamide
• Synonyms: N-[5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-2-thiazolyl]-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide; 5'-tert-Butyldimethylsilyloxy Meloxicam

Database IDs

• CAS Number: 1076199-65-9
• PubChem SID: 162257498
• PubChem CID: 71314415

CALCULATED PROPERTIES

• Acid pKa: 4.224847
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.9466922
• LogD (pH = 7.4): 1.4991181
• Log P: 3.0698
• Molar Refractivity: 120.0167 cm^3
• Polarizability: 47.87458 Å^3
• Polar Surface Area: 108.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: White To Off-White Solid