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5-methoxy-2-(pyridin-4-yl)benzo[d]thiazole ID: ALA2269943
Chembl Id: CHEMBL2269943
PubChem CID: 12855468
Max Phase: Preclinical
Molecular Formula: C13H10N2OS
Molecular Weight: 242.30
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1ccc2sc(-c3ccncc3)nc2c1
Standard InChI: InChI=1S/C13H10N2OS/c1-16-10-2-3-12-11(8-10)15-13(17-12)9-4-6-14-7-5-9/h2-8H,1H3
Standard InChI Key: XYQOYIDWMBIXCX-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: 242.30Molecular Weight (Monoisotopic): 242.0514AlogP: 3.37#Rotatable Bonds: 2Polar Surface Area: 35.01Molecular Species: NEUTRALHBA: 4HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.42CX LogP: 2.76CX LogD: 2.76Aromatic Rings: 3Heavy Atoms: 17QED Weighted: 0.69Np Likeness Score: -1.86
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 ]
