A1A4A

(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

Created:2024-08-29
Last modified:  2024-11-06

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count29
Aromatic Bond Count5
2D diagram of A1A4A

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Chemical Component Summary

Name(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
Systematic Name (OpenEye OEToolkits)(2~{R})-~{N}-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
FormulaC9 H13 N3 O2 S
Molecular Weight227.283
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1nnc(CC)s1)C1CCCO1
SMILESCACTVS3.385CCc1sc(NC(=O)[CH]2CCCO2)nn1
SMILESOpenEye OEToolkits3.1.0.0CCc1nnc(s1)NC(=O)C2CCCO2
Canonical SMILESCACTVS3.385 CCc1sc(NC(=O)[C@H]2CCCO2)nn1
Canonical SMILESOpenEye OEToolkits3.1.0.0 CCc1nnc(s1)NC(=O)[C@H]2CCCO2
InChIInChI1.06 InChI=1S/C9H13N3O2S/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyInChI1.06 KKBVPDRSYCAPEU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 868656