4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

• ChemBase ID: 311794
• Molecular Formular: C12H14N2O2S
• Molecular Mass: 250.31676
• Monoisotopic Mass: 250.0775987
• SMILES: c1(nc(sc1C)N)c1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1c1nc(sc1C)N
• InChI: InChI=1S/C12H14N2O2S/c1-7-11(14-12(13)17-7)9-5-4-8(15-2)6-10(9)16-3/h4-6H,1-3H3,(H2,13,14)
• InChIKey: DBRUGROLIZNWFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
• Synonyms: 4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 117844-98-1
• MDL Number: MFCD03145141

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8073285
• LogD (pH = 7.4): 2.8503773
• Log P: 2.8509567
• Molar Refractivity: 68.187 cm^3
• Polarizability: 26.975563 Å^3
• Polar Surface Area: 57.37 Å^2