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4I2

Summary
Name:N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
Formula:C18 H14 F3 N3 O S
Formal charge:0
Formula weight:377.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[4-[2-[[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-4-yl]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)Nc1ccc(cc1)c1csc(Nc2cccc(c2)C(F)(F)F)n1
InChIInChI1.03InChI=1S/C18H14F3N3OS/c1-11(25)22-14-7-5-12(6-8-14)16-10-26-17(24-16)23-15-4-2-3-13(9-15)18(19,20)21/h2-10H,1H3,(H,22,25)(H,23,24)
InChIKeyInChI1.03WCPMDFWXUJATQO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(c3)C(F)(F)F)n2
SMILESCACTVS3.385CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(c3)C(F)(F)F)n2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F

223532

PDB entries from 2024-08-07

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