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4-(4-ethyl-1-piperazinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

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4-(4-ethyl-1-piperazinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SpectraBase Compound ID 1TYuSq1C18F
InChI InChI=1S/C13H21N5O2S/c1-3-17-6-8-18(9-7-17)12(20)5-4-11(19)14-13-16-15-10(2)21-13/h3-9H2,1-2H3,(H,14,16,19)
InChIKey LRVIIZPRLFOART-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C13H21N5O2S
Exact Mass 311.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1B0wGsEdvar
Name 4-(4-Ethyl-1-piperazinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
Comments Computed using HOSE algorithm
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Exact Mass 311.141596108 u
Formula C13H21N5O2S
InChI InChI=1S/C13H21N5O2S/c1-3-17-6-8-18(9-7-17)12(20)5-4-11(19)14-13-16-15-10(2)21-13/h3-9H2,1-2H3,(H,14,16,19)
InChIKey LRVIIZPRLFOART-UHFFFAOYSA-N
Molecular Weight 311.404 g/mol
SMILES N(C=1SC(C)=NN1)C(=O)CCC(N1CCN(CC1)CC)=O