5-{3-[5-(5-methylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine

• ChemBase ID: 502853
• Molecular Formular: C19H19N5OS
• Molecular Mass: 365.45206
• Monoisotopic Mass: 365.13103125
• SMILES: c1(c2oc(cc2)C)c(ncn1CCCc1sc(nn1)N)c1ccccc1
• Canonical SMILES: Cc1ccc(o1)c1n(CCCc2nnc(s2)N)cnc1c1ccccc1
• InChI: InChI=1S/C19H19N5OS/c1-13-9-10-15(25-13)18-17(14-6-3-2-4-7-14)21-12-24(18)11-5-8-16-22-23-19(20)26-16/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,20,23)
• InChIKey: RGCSOJGMTOKCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[5-(5-methylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine
• IUPAC Traditional name: 5-{3-[5-(5-methylfuran-2-yl)-4-phenylimidazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine
• Synonyms: 5-{3-[5-(5-methyl-2-furyl)-4-phenyl-1H-imidazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.042242
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.838251
• LogD (pH = 7.4): 2.8915133
• Log P: 2.8922455
• Molar Refractivity: 104.1269 cm^3
• Polarizability: 40.67583 Å^3
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.2
• LOG S: -4.59
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 6