1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea

  • Description:
  • Formula: C29H32N6O4S
  • Molar mass: 560.7 g mol-1
  • InChI Key: CVWXJKQAOSCOAB-UHFFFAOYSA-N
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea

Identifiers (19)

  • Standard InChI: InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) (Source: PubChem)
  • IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea (Source: PubChem)
  • PubChem CID: 24889392 (Source: PubChem)
  • SMILES String: CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3 (Source: PubChem)
  • ChEMBL ID: CHEMBL576982 (Source: PubChem)
  • Connectivity SMILES string: CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3 (Source: PubChem)
  • Standard InChIKey: CVWXJKQAOSCOAB-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 950769-58-1 (Source: PubChem)
  • ChEBI ID: CHEBI:90217 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID00164237 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID70241746 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX11 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Quizartinib (Source: ChEMBL)
  • Connectivity SMILES string: CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1 (Source: ChEMBL)
  • International Nonproprietary Name: Quizartinib (Source: ChEMBL)
  • Preferred Name: QUIZARTINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) (Source: ChEMBL)
  • Standard InChIKey: CVWXJKQAOSCOAB-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Quizartinib (Source: ChEMBL)
  • Data (39)

  • Thermodynamic parameters: 5.6 (Source: PubChem)
  • Surface parameters: 40 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 849 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 134 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 5.6 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 560.22057470 Da (Source: PubChem)
  • Molecule statistics: 40 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 849 (Source: PubChem)
  • Stuctural analysis: 431.5 (Source: PubChem)
  • Mass parameters: 560.7 g/mol (Source: PubChem)
  • Mass parameters: 560.22057470 Da (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 134 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 5 (Source: ChEMBL)
  • Thermodynamic parameters: 5.86 (Source: ChEMBL)
  • Molecule statistics: 40 (Source: ChEMBL)
  • Molecule statistics: 9 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 560.68 g/mol (Source: ChEMBL)
  • Mass parameters: 560.68 g/mol (Source: ChEMBL)
  • Molecule statistics: -2.19 (Source: ChEMBL)
  • Molecule statistics: 106.16 (Source: ChEMBL)
  • Molecule statistics: 0.26 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Information (8)

  • Chemical formula: C29H32N6O4S (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C29H32N6O4S (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)