![4(5H)-Thiazolone, 5-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1-piperidinyl)-](/api/spectrum/KnXXWheWIbH/structure.png?h=300&w=458 "4(5H)-Thiazolone, 5-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1-piperidinyl)-")
| SpectraBase Compound ID | IBM1GzjkKGG |
|---|---|
| InChI | InChI=1S/C14H18N4OS/c1-10-11(9-17(2)16-10)8-12-13(19)15-14(20-12)18-6-4-3-5-7-18/h8-9H,3-7H2,1-2H3/b12-8+ |
| InChIKey | CXPMOUNDBFHWKU-XYOKQWHBSA-N |
| Mol Weight | 290.38 g/mol |
| Molecular Formula | C14H18N4OS |
| Exact Mass | 290.120132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnXXWheWIbH |
|---|---|
| Name | 4(5H)-Thiazolone, 5-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1-piperidinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.120132389 u |
| Formula | C14H18N4OS |
| InChI | InChI=1S/C14H18N4OS/c1-10-11(9-17(2)16-10)8-12-13(19)15-14(20-12)18-6-4-3-5-7-18/h8-9H,3-7H2,1-2H3/b12-8+ |
| InChIKey | CXPMOUNDBFHWKU-XYOKQWHBSA-N |
| SMILES | CC=1C(\C=C/2SC(N3CCCCC3)=NC2=O)=CN(C)N1 |