2-methoxy-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol

• ChemBase ID: 803992
• Molecular Formular: C11H12N2O2S
• Molecular Mass: 236.29018
• Monoisotopic Mass: 236.06194863
• SMILES: c1(c(ccc(c1)Nc1scc(n1)C)OC)O
• Canonical SMILES: COc1ccc(cc1O)Nc1scc(n1)C
• InChI: InChI=1S/C11H12N2O2S/c1-7-6-16-11(12-7)13-8-3-4-10(15-2)9(14)5-8/h3-6,14H,1-2H3,(H,12,13)
• InChIKey: QQSQJVRQTBJGBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol
• IUPAC Traditional name: 2-methoxy-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol
• Synonyms: 5-(4-METHYLTHIAZOL-2-YLAMINO)-2-METHOXYPHENOL

Database IDs

• CAS Number: 933045-64-8

CALCULATED PROPERTIES

• Acid pKa: 10.034886
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4234662
• LogD (pH = 7.4): 2.4253128
• Log P: 2.426348
• Molar Refractivity: 62.2615 cm^3
• Polarizability: 23.740005 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%