N-(2,3-difluorophenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine

• ChemBase ID: 94230
• Molecular Formular: C15H9F3N2S
• Molecular Mass: 306.3055696
• Monoisotopic Mass: 306.04385396
• SMILES: s1c(nc(c1)c1c(cccc1)F)Nc1c(c(ccc1)F)F
• Canonical SMILES: Fc1c(cccc1F)Nc1scc(n1)c1ccccc1F
• InChI: InChI=1S/C15H9F3N2S/c16-10-5-2-1-4-9(10)13-8-21-15(20-13)19-12-7-3-6-11(17)14(12)18/h1-8H,(H,19,20)
• InChIKey: VLAPVCYPEVBSLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-difluorophenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2,3-difluorophenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
• Synonyms: 2-(2,3-Difluorophenyl)amino-4-(2-fluorophenyl)thiazole

Database IDs

• MDL Number: MFCD07772037
• PubChem SID: 162080885
• PubChem CID: 40468264

CALCULATED PROPERTIES

• Acid pKa: 10.160066
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.2171316
• LogD (pH = 7.4): 5.216657
• Log P: 5.217396
• Molar Refractivity: 74.6393 cm^3
• Polarizability: 28.823105 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant/Stench