4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

• ChemBase ID: 170835
• Molecular Formular: C14H13N3O5S2
• Molecular Mass: 367.40012
• Monoisotopic Mass: 367.02966253
• SMILES: c1ccc2c(c1)C(=C(N(S2(=O)=O)C)C(=O)Nc1sc(cn1)CO)O
• Canonical SMILES: OCc1cnc(s1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
• InChI: InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)
• InChIKey: LOOSAJMIEADILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-2H-1λ^6,2-benzothiazine-3-carboxamide
• IUPAC Traditional name: 4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1λ^6,2-benzothiazine-3-carboxamide
• Synonyms: 4-Hydroxy-N-[5-(hydroxymethyl)-2-thiazolyl]-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide; 5'-Hydroxy Meloxicam

Database IDs

• CAS Number: 130262-92-9
• PubChem SID: 164226745
• PubChem CID: 54738103

CALCULATED PROPERTIES

• Acid pKa: 4.3388796
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.8610811
• LogD (pH = 7.4): -2.3098683
• Log P: 0.3198102
• Molar Refractivity: 90.1686 cm^3
• Polarizability: 33.909115 Å^3
• Polar Surface Area: 119.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Yellow Solid
• Melting Point: 230-232°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - H947810

A metabolite of Meloxicam.