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)

Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton benhamiae (1686 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 220.25Molecular Weight (Monoisotopic): 220.0306AlogP: 1.17#Rotatable Bonds: 1
Polar 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: 0.64
Aromatic 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]

Source