4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine

• ChemBase ID: 311524
• Molecular Formular: C12H13FN2S
• Molecular Mass: 236.3084232
• Monoisotopic Mass: 236.07834765
• SMILES: n1c(c(sc1N)CCC)c1ccc(cc1)F
• Canonical SMILES: CCCc1sc(nc1c1ccc(cc1)F)N
• InChI: InChI=1S/C12H13FN2S/c1-2-3-10-11(15-12(14)16-10)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
• InChIKey: ZNCDVAKZGHTBJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915923-78-3
• MDL Number: MFCD08753003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.15492
• LogD (pH = 7.4): 4.197565
• Log P: 4.198138
• Molar Refractivity: 64.602 cm^3
• Polarizability: 25.268303 Å^3
• Polar Surface Area: 38.91 Å^2