K3T

3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide

Created:2017-01-24
Last modified:  2019-09-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count29
Aromatic Bond Count10
2D diagram of K3T

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Chemical Component Summary

Name3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
FormulaC12 H8 Cl F N2 O S2
Molecular Weight314.786
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3
Canonical SMILESCACTVS3.385 Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3
InChIInChI1.03 InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17)
InChIKeyInChI1.03 WIYIHXHWMONCNB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2386708
ChEMBL CHEMBL1527187