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5-ethoxy-2-(pyridin-2-yl)benzo[d]thiazole ID: ALA2269955
Chembl Id: CHEMBL2269955
PubChem CID: 12855459
Max Phase: Preclinical
Molecular Formula: C14H12N2OS
Molecular Weight: 256.33
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOc1ccc2sc(-c3ccccn3)nc2c1
Standard InChI: InChI=1S/C14H12N2OS/c1-2-17-10-6-7-13-12(9-10)16-14(18-13)11-5-3-4-8-15-11/h3-9H,2H2,1H3
Standard InChI Key: VLVXPHCYCOTZBP-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 256.33Molecular Weight (Monoisotopic): 256.0670AlogP: 3.76#Rotatable Bonds: 3Polar Surface Area: 35.01Molecular Species: NEUTRALHBA: 4HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 0.44CX LogP: 3.51CX LogD: 3.51Aromatic Rings: 3Heavy Atoms: 18QED Weighted: 0.72Np Likeness Score: -2.26
References 1. HISANO T, ICHIKAWA M, TSUMOTO K, TASAKI M. (1992) Synthesis of benzoxazoles, benzothiazoles and benzimidazoles and evaluation of their antifungal, insecticidal and herbicidal activities., 30 (8): [10.1248/cpb.30.2996 ]
