Focused Library: Aminothiazoles

• a-bromoketones & thioureas extracted from ACD

• ADEPT used to

  • filter reactants (MW < 300; RB < 8)
  • enumerate virtual library => 12850 products (74 a-bromoketones & 170 thioureas)

• MoSELECT used to design 15×30 subsets optimised on

  • Similarity to a target compound (Daylight fingerprints)
  • Cost ($/g)

Notes: