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4-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1-piperazinyl}-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SpectraBase Compound ID CTi3ez0HNAv
InChI InChI=1S/C19H25F3N6O2S/c1-13-3-4-14(2)28(13)12-9-26-7-10-27(11-8-26)16(30)6-5-15(29)23-18-25-24-17(31-18)19(20,21)22/h3-4H,5-12H2,1-2H3,(H,23,25,29)
InChIKey PFNHAXUHNRTNJP-UHFFFAOYSA-N
Mol Weight 458.5 g/mol
Molecular Formula C19H25F3N6O2S
Exact Mass 458.17118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GCxHQTjQPTP
Name 4-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1-piperazinyl}-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H25F3N6O2S/c1-13-3-4-14(2)28(13)12-9-26-7-10-27(11-8-26)16(30)6-5-15(29)23-18-25-24-17(31-18)19(20,21)22/h3-4H,5-12H2,1-2H3,(H,23,25,29)
InChIKey PFNHAXUHNRTNJP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11572
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E07195; Labnumber: GRESKO-7699; SBI_ID: SBI-011575
Temperature 306 °C