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

• ChemBase ID: 311526
• Molecular Formular: C10H8Cl2N2S
• Molecular Mass: 259.15492
• Monoisotopic Mass: 257.97852463
• SMILES: c1(nc(sc1C)N)c1cc(c(cc1)Cl)Cl
• Canonical SMILES: Nc1sc(c(n1)c1ccc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14)
• InChIKey: QENQRTUPUKKHLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 228413-64-7
• MDL Number: MFCD08691763

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3229146
• LogD (pH = 7.4): 4.3736987
• Log P: 4.3743887
• Molar Refractivity: 64.8702 cm^3
• Polarizability: 25.720112 Å^3
• Polar Surface Area: 38.91 Å^2