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3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID K1DIGiq22QJ
InChI InChI=1S/C18H17F3N4OS2/c1-8-7-27-17(23-8)25-15(26)14-13(22)11-12(18(19,20)21)9-5-3-2-4-6-10(9)24-16(11)28-14/h7H,2-6,22H2,1H3,(H,23,25,26)
InChIKey HFILRFKPBRIDPO-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C18H17F3N4OS2
Exact Mass 426.079588 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87uBb4D3CbD
Name 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
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/C18H17F3N4OS2/c1-8-7-27-17(23-8)25-15(26)14-13(22)11-12(18(19,20)21)9-5-3-2-4-6-10(9)24-16(11)28-14/h7H,2-6,22H2,1H3,(H,23,25,26)
InChIKey HFILRFKPBRIDPO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25669
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: D60541; Labnumber: SHES3-0335; SBI_ID: SBI-025673
Temperature 308 °C