4-(2-methoxy-4-methylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 807435
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: Nc1scc(n1)c1c(cc(cc1)C)OC
• Canonical SMILES: COc1cc(C)ccc1c1csc(n1)N
• InChI: InChI=1S/C11H12N2OS/c1-7-3-4-8(10(5-7)14-2)9-6-15-11(12)13-9/h3-6H,1-2H3,(H2,12,13)
• InChIKey: SWCTXQNKIUVNRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxy-4-methylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(2-methoxy-4-methylphenyl)-1,3-thiazol-2-amine
• Synonyms: 4-(2-METHOXY-4-METHYL-PHENYL)-THIAZOL-2-YLAMINE

CALCULATED PROPERTIES

• Acid pKa: 16.647812
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.86358
• LogD (pH = 7.4): 2.8760273
• Log P: 2.8761885
• Molar Refractivity: 61.7087 cm^3
• Polarizability: 24.46422 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%