LF6

{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol

Created:2022-03-04
Last modified:  2022-03-16

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count2
Bond Count30
Aromatic Bond Count0
2D diagram of LF6

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Chemical Component Summary

Name{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol
Systematic Name (OpenEye OEToolkits)[(1~{R},2~{R})-2-[(~{Z})-(3-methyl-2~{H}-1,2,4-thiadiazol-5-ylidene)amino]cyclopentyl]methanol
FormulaC9 H15 N3 O S
Molecular Weight213.3
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1=N\C(=N\C2CCCC2CO)SN1
SMILESCACTVS3.385CC1=NC(SN1)=N[CH]2CCC[CH]2CO
SMILESOpenEye OEToolkits2.0.7CC1=NC(=NC2CCCC2CO)SN1
Canonical SMILESCACTVS3.385 CC1=NC(SN1)=N[C@@H]2CCC[C@H]2CO
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1
InChIInChI1.03 InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1
InChIKeyInChI1.03 QUKZXHGECCPEIZ-JGVFFNPUSA-N

Related Resource References

Resource NameReference
PubChem 99846980