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

• ChemBase ID: 300046
• Molecular Formular: C10H10N2OS
• Molecular Mass: 206.2642
• Monoisotopic Mass: 206.05138395
• SMILES: Cc1c(nc(s1)N)c1ccccc1O
• Canonical SMILES: Nc1sc(c(n1)c1ccccc1O)C
• InChI: InChI=1S/C10H10N2OS/c1-6-9(12-10(11)14-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H2,11,12)
• InChIKey: FWLBNNDUEUNILO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-5-methyl-1,3-thiazol-4-yl)phenol
• IUPAC Traditional name: 2-(2-amino-5-methyl-1,3-thiazol-4-yl)phenol
• Synonyms: 2-Amino-4-(2-hydroxyphenyl)-5-methylthiazole

Database IDs

• MDL Number: MFCD22682963

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 9.105234
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.819225
• LogD (pH = 7.4): 2.8536804
• Log P: 2.8627338
• Molar Refractivity: 57.2415 cm^3
• Polarizability: 22.546005 Å^3
• Polar Surface Area: 59.14 Å^2

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: 97%