(benzylsulfamoyl)(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)amine

• ChemBase ID: 521503
• Molecular Formular: C15H19N3O2S2
• Molecular Mass: 337.46026
• Monoisotopic Mass: 337.09186886
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCc1nc2c(s1)CCC2
• Canonical SMILES: O=S(=O)(NCc1ccccc1)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C15H19N3O2S2/c19-22(20,17-11-12-5-2-1-3-6-12)16-10-9-15-18-13-7-4-8-14(13)21-15/h1-3,5-6,16-17H,4,7-11H2
• InChIKey: PGBCJTJCCYANJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)amine
• IUPAC Traditional name: (benzylsulfamoyl)(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)amine
• Synonyms: N-benzyl-N'-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.297155
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8830409
• LogD (pH = 7.4): 1.887457
• Log P: 1.8880073
• Molar Refractivity: 87.4905 cm^3
• Polarizability: 34.633865 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.96
• LOG S: -4.19
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 5