N-(9H-fluoren-9-yl)-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 732445
• Molecular Formular: C20H18N2OS
• Molecular Mass: 334.43472
• Monoisotopic Mass: 334.11398421
• SMILES: c1(nc(sc1)CCC)C(=O)NC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: CCCc1scc(n1)C(=O)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H18N2OS/c1-2-7-18-21-17(12-24-18)20(23)22-19-15-10-5-3-8-13(15)14-9-4-6-11-16(14)19/h3-6,8-12,19H,2,7H2,1H3,(H,22,23)
• InChIKey: RTXYQHJAZCOQKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-9-yl)-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-(9H-fluoren-9-yl)-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: N-9H-fluoren-9-yl-2-propyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.460946
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.543065
• LogD (pH = 7.4): 4.543064
• Log P: 4.5430675
• Molar Refractivity: 96.5117 cm^3
• Polarizability: 38.048054 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.07
• LOG S: -6.22
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4