795

2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde

Created:2011-01-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count20
Aromatic Bond Count12
2D diagram of 795

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Chemical Component Summary

Name2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
Systematic Name (OpenEye OEToolkits)2-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
FormulaC9 H6 N2 O S
Molecular Weight190.222
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=Cc1nc(sc1)c2cnccc2
SMILESCACTVS3.370O=Cc1csc(n1)c2cccnc2
SMILESOpenEye OEToolkits1.7.0c1cc(cnc1)c2nc(cs2)C=O
Canonical SMILESCACTVS3.370 O=Cc1csc(n1)c2cccnc2
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(cnc1)c2nc(cs2)C=O
InChIInChI1.03 InChI=1S/C9H6N2OS/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H
InChIKeyInChI1.03 UTFHURULTRKXDB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 18913501