IQX

N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide

Created: 2010-04-13
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count17
2D diagram of IQX
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Chemical Component Summary

NameN-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SynonymsN-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide
Systematic Name (OpenEye OEToolkits)N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
FormulaC16 H16 F N5 O3 S3
Molecular Weight441.523
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cnc3F
SMILESCACTVS3.370CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O)c3sc(C)nc3C)c2
SMILESOpenEye OEToolkits1.7.0Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C
Canonical SMILESCACTVS3.370 CC(=O)Nc1sc(c(C)n1)c2cnc(F)c(N[S](=O)(=O)c3sc(C)nc3C)c2
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C
InChIInChI1.03 InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23)
InChIKeyInChI1.03 IGQXOMRFMBZFBD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 11647899
ChEMBL CHEMBL1233655