2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide

• ChemBase ID: 238112
• Molecular Formular: C10H10N2O2S2
• Molecular Mass: 254.3286
• Monoisotopic Mass: 254.01836957
• SMILES: c1(S(=O)(=O)N)nc(sc1c1ccccc1)C
• Canonical SMILES: Cc1sc(c(n1)S(=O)(=O)N)c1ccccc1
• InChI: InChI=1S/C10H10N2O2S2/c1-7-12-10(16(11,13)14)9(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,13,14)
• InChIKey: YBIMRQFAVATZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
• IUPAC Traditional name: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
• Synonyms: 2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide

Database IDs

• MDL Number: MFCD22378595
• PubChem SID: 164294022
• PubChem CID: 71756096

CALCULATED PROPERTIES

• Acid pKa: 8.404993
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5990436
• LogD (pH = 7.4): 1.5634503
• Log P: 1.5995231
• Molar Refractivity: 63.0988 cm^3
• Polarizability: 26.129086 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.271

Product Information

• Purity: 95%