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

• ChemBase ID: 229685
• Molecular Formular: C10H10Cl2N2S
• Molecular Mass: 261.1708
• Monoisotopic Mass: 259.99417469
• SMILES: C1(=NCC(S1)C)Nc1cc(c(cc1)Cl)Cl
• Canonical SMILES: CC1CN=C(S1)Nc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C10H10Cl2N2S/c1-6-5-13-10(15-6)14-7-2-3-8(11)9(12)4-7/h2-4,6H,5H2,1H3,(H,13,14)
• InChIKey: YKMKYRMIBXLAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(3,4-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (3,4-Dichloro-phenyl)-(5-methyl-4,5-dihydro-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD01655207
• PubChem SID: 164285595
• PubChem CID: 4236806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4291737
• LogD (pH = 7.4): 3.9745677
• Log P: 3.9888442
• Molar Refractivity: 68.0289 cm^3
• Polarizability: 25.699844 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.868

Product Information

• Purity: 95%