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G7L

Summary
Name:N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
Formula:C9 H9 F3 N2 O S
Formal charge:0
Formula weight:250.241 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3
InChIKeyInChI1.03ZPJNBQRFMJDXHX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
SMILESCACTVS3.385CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C
SMILESOpenEye OEToolkits2.0.7CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C

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PDB entries from 2024-04-24

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