CK3

N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE

Created: 2003-07-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count12
2D diagram of CK3
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Chemical Component Summary

NameN-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
Systematic Name (OpenEye OEToolkits)N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxy-methanimidamide
FormulaC10 H11 N5 O S
Molecular Weight249.292
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c(c1sc(nc1C)C)ccnc2N/C=N\O
SMILESCACTVS3.341Cc1sc(c(C)n1)c2ccnc(NC=NO)n2
SMILESOpenEye OEToolkits1.5.0Cc1c(sc(n1)C)c2ccnc(n2)NC=NO
Canonical SMILESCACTVS3.341 Cc1sc(c(C)n1)c2ccnc(N\C=N/O)n2
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O
InChIInChI1.03 InChI=1S/C10H11N5OS/c1-6-9(17-7(2)14-6)8-3-4-11-10(15-8)12-5-13-16/h3-5,16H,1-2H3,(H,11,12,13,15)
InChIKeyInChI1.03 OVKZTPFHUYGZBI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04101 
NameN'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide
Groups experimental
SynonymsN'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Cyclin-dependent kinase 2MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 9547884, 447957, 6400892
ChEMBL CHEMBL1231801