![2-pyrimidinamine, N-[4-(3-pyridinyl)-2-thiazolyl]-](/api/spectrum/6DVgXBXcMkz/structure.png?h=300&w=458 "2-pyrimidinamine, N-[4-(3-pyridinyl)-2-thiazolyl]-")
| SpectraBase Compound ID | FtX7S1IJDgc |
|---|---|
| InChI | InChI=1S/C12H9N5S/c1-3-9(7-13-4-1)10-8-18-12(16-10)17-11-14-5-2-6-15-11/h1-8H,(H,14,15,16,17) |
| InChIKey | VSKCWIXMOBTHAR-UHFFFAOYSA-N |
| Mol Weight | 255.3 g/mol |
| Molecular Formula | C12H9N5S |
| Exact Mass | 255.057866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DVgXBXcMkz |
|---|---|
| Name | 2-Pyrimidinamine, N-[4-(3-pyridinyl)-2-thiazolyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.057866484 u |
| Formula | C12H9N5S |
| InChI | InChI=1S/C12H9N5S/c1-3-9(7-13-4-1)10-8-18-12(16-10)17-11-14-5-2-6-15-11/h1-8H,(H,14,15,16,17) |
| InChIKey | VSKCWIXMOBTHAR-UHFFFAOYSA-N |
| Molecular Weight | 255.299 g/mol |
| SMILES | N(C1=NC(C=2C=NC=CC2)=CS1)C=1N=CC=CN1 |