KMX

1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one

Created:2023-08-14
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count11
2D diagram of KMX

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Chemical Component Summary

Name1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)1-[4-[[2-(phenylmethyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
FormulaC17 H21 N3 O S
Molecular Weight315.433
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1
SMILESCACTVS3.385CC(=O)N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3
Canonical SMILESCACTVS3.385 CC(=O)N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3
InChIInChI1.06 InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
InChIKeyInChI1.06 CZSFWPWYLTWYHF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169452748