The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
4-chloro-N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)aniline ID: ALA2270012
Chembl Id: CHEMBL2270012
PubChem CID: 76319643
Max Phase: Preclinical
Molecular Formula: C17H12ClF3N2S
Molecular Weight: 368.81
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/c2ccc(Cl)cc2)s1
Standard InChI: InChI=1S/C17H12ClF3N2S/c1-11-10-23(15-4-2-3-12(9-15)17(19,20)21)16(24-11)22-14-7-5-13(18)6-8-14/h2-10H,1H3/b22-16-
Standard InChI Key: LNCRDPFFQVVVJZ-JWGURIENSA-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: 368.81Molecular Weight (Monoisotopic): 368.0362AlogP: 5.75#Rotatable Bonds: 2Polar Surface Area: 17.29Molecular Species: NEUTRALHBA: 3HBD: 0#RO5 Violations: 1HBA (Lipinski): 2HBD (Lipinski): 0#RO5 Violations (Lipinski): 1CX Acidic pKa: CX Basic pKa: 2.97CX LogP: 6.23CX LogD: 6.23Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.55Np Likeness Score: -1.94
References 1. Sanemitsu Y, Kawamura S, Satoh J, Katayama T, Hashimoto S. (2006) Synthesis and herbicidal activity of 2-acylimino-3-phenyl-1,3-thiazolines—A new family of bleaching herbicides—, 31 (3): [10.1584/jpestics.31.305 ]