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

• ChemBase ID: 307873
• Molecular Formular: C13H16N2S
• Molecular Mass: 232.34454
• Monoisotopic Mass: 232.10341952
• SMILES: n1c(c(sc1N)CCC)c1ccc(cc1)C
• Canonical SMILES: CCCc1sc(nc1c1ccc(cc1)C)N
• InChI: InChI=1S/C13H16N2S/c1-3-4-11-12(15-13(14)16-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: BFIWRBLVPZXIAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 433254-87-6
• MDL Number: MFCD03063659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.5256166
• LogD (pH = 7.4): 4.568284
• Log P: 4.5688577
• Molar Refractivity: 69.4268 cm^3
• Polarizability: 27.411654 Å^3
• Polar Surface Area: 38.91 Å^2