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6-p-Tolyl-[1,3,5]thiadiazine-2,4-dione ID: ALA144344
Chembl Id: CHEMBL144344
PubChem CID: 514162
Max Phase: Preclinical
Molecular Formula: C10H8N2O2S
Molecular Weight: 220.25
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(-c2nc(=O)[nH]c(=O)s2)cc1
Standard InChI: InChI=1S/C10H8N2O2S/c1-6-2-4-7(5-3-6)8-11-9(13)12-10(14)15-8/h2-5H,1H3,(H,12,13,14)
Standard InChI Key: HBOKQNKYVRRUIO-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: 220.25Molecular Weight (Monoisotopic): 220.0306AlogP: 1.17#Rotatable Bonds: 1Polar Surface Area: 62.82Molecular Species: ACIDHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 5.18CX Basic pKa: ┄CX LogP: 2.40CX LogD: 0.64Aromatic Rings: 2Heavy Atoms: 15QED Weighted: 0.78Np Likeness Score: -1.26
References 1. Coburn RA, Ho C, Bronstein ML.. (1982) Synthesis and in vitro antimicrobial activity of 5-substituted 2H-1,3,5-thiadiazine-2,4(3H)-diones., 25 (4): [PMID:7069727 ] [10.1021/jm00346a028 ]