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4B6

Summary
Name:N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Formula:C17 H14 F N3 O S
Formal charge:0
Formula weight:327.376 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2F)n1
InChIInChI1.03InChI=1S/C17H14FN3OS/c1-11(22)19-13-8-6-12(7-9-13)16-10-23-17(21-16)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyInChI1.03WXSPVANDYDKIDO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2
SMILESCACTVS3.385CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F

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PDB entries from 2024-07-10

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