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2-(quinolin-2-yl)benzo[d]thiazole ID: ALA2269945
Chembl Id: CHEMBL2269945
Cas Number: 24613-99-8
PubChem CID: 699802
Max Phase: Preclinical
Molecular Formula: C16H10N2S
Molecular Weight: 262.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: c1ccc2nc(-c3nc4ccccc4s3)ccc2c1
Standard InChI: InChI=1S/C16H10N2S/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10H
Standard InChI Key: UUEGANDSQCTZQT-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: 262.34Molecular Weight (Monoisotopic): 262.0565AlogP: 4.51#Rotatable Bonds: 1Polar Surface Area: 25.78Molecular Species: NEUTRALHBA: 3HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.68CX LogD: 4.68Aromatic Rings: 4Heavy Atoms: 19QED Weighted: 0.50Np Likeness Score: -1.60
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 ]
