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6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid, (5-propyl-[1,3,4]thiadiazol-2-yl)-amide

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6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid, (5-propyl-[1,3,4]thiadiazol-2-yl)-amide
SpectraBase Compound ID 5xmP8JA7gOx
InChI InChI=1S/C19H22N4O3S/c1-2-8-16-21-22-19(27-16)20-15(24)11-4-3-7-12-23-17(25)13-9-5-6-10-14(13)18(23)26/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,20,22,24)
InChIKey IMELPKIVLARDQO-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C19H22N4O3S
Exact Mass 386.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gSpC9Ja6YP
Name 6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid, (5-propyl-[1,3,4]thiadiazol-2-yl)-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.141261755 u
Formula C19H22N4O3S
InChI InChI=1S/C19H22N4O3S/c1-2-8-16-21-22-19(27-16)20-15(24)11-4-3-7-12-23-17(25)13-9-5-6-10-14(13)18(23)26/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,20,22,24)
InChIKey IMELPKIVLARDQO-UHFFFAOYSA-N
Molecular Weight 386.470 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)CCCCCC(NC=1SC(CCC)=NN1)=O)=O