N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

  • Description:
  • Formula: C22H26ClN7O2S
  • Molar mass: 488.0 g mol-1
  • InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Identifiers (13)

  • Standard InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) (Source: PubChem)
  • IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (Source: PubChem)
  • PubChem CID: 3062316 (Source: PubChem)
  • SMILES String: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO (Source: PubChem)
  • Connectivity SMILES string: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO (Source: PubChem)
  • Standard InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 302962-49-8 (Source: PubChem)
  • ChEBI ID: CHEBI:49375 (Source: PubChem)
  • ChEMBL ID: CHEMBL1421 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID2020979 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID4040979 (Source: PubChem)
  • European Community Number: 801-607-0 (Source: PubChem)
  • Wikidata ID: Q419940 (Source: PubChem)

    • Sources: PubChem (13)

    Data (27)

  • Thermodynamic parameters: 3.6 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Stuctural analysis: 642 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 135 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.6 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 487.1557220 Da (Source: PubChem)
  • Molecule statistics: 33 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 642 (Source: PubChem)
  • Stuctural analysis: 363.5 (Source: PubChem)
  • Mass parameters: 488.0 g/mol (Source: PubChem)
  • Mass parameters: 487.1557220 Da (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 135 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)

    • Sources: PubChem (27)

    Information (1)

  • Chemical formula: C22H26ClN7O2S (Source: PubChem)

    • Sources: PubChem (1)