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

• ChemBase ID: 311807
• Molecular Formular: C14H18N2OS
• Molecular Mass: 262.37052
• Monoisotopic Mass: 262.11398421
• SMILES: n1c(c(sc1N)CCC)c1ccc(cc1)OCC
• Canonical SMILES: CCCc1sc(nc1c1ccc(cc1)OCC)N
• InChI: InChI=1S/C14H18N2OS/c1-3-5-12-13(16-14(15)18-12)10-6-8-11(9-7-10)17-4-2/h6-9H,3-5H2,1-2H3,(H2,15,16)
• InChIKey: RDYHRHLOWLYZPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 461033-41-0
• MDL Number: MFCD03063708

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.2111993
• LogD (pH = 7.4): 4.2539973
• Log P: 4.2545733
• Molar Refractivity: 75.5974 cm^3
• Polarizability: 29.984785 Å^3
• Polar Surface Area: 48.14 Å^2