4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

• ChemBase ID: 232567
• Molecular Formular: C17H14Cl2N2S
• Molecular Mass: 349.27746
• Monoisotopic Mass: 348.02547482
• SMILES: n1c(c2c(cc(cc2)Cl)Cl)csc1NCCc1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1csc(n1)NCCc1ccccc1
• InChI: InChI=1S/C17H14Cl2N2S/c18-13-6-7-14(15(19)10-13)16-11-22-17(21-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,21)
• InChIKey: ZRVRTYXSNQHFKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04615274
• PubChem SID: 164288477
• PubChem CID: 2470553

CALCULATED PROPERTIES

• Acid pKa: 15.7613535
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.0423193
• LogD (pH = 7.4): 6.043353
• Log P: 6.043366
• Molar Refractivity: 94.6749 cm^3
• Polarizability: 37.1249 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.416

Product Information

• Purity: 95%