| MolName | (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C16H16N6OS |
| Smiles | C(COCC1)N1c1nc(-c2ccccc2)c(/C=N\n2cnnc2)s1 |
| InChI | InChI=1S/C16H16N6OS/c1-2-4-13(5-3-1)15-14(10-19-22-11-17-18-12-22)24-16(20-15)21-6-8-23-9-7-21/h1-5,10-12H,6-9H2 |
| InChIK | QIAKOYQYRDZMBM-UHFFFAOYSA-N |
| TotalMolweight | 340.41 |
| Molweight | 340.41 |
| MonoisotopicMass | 340.110629 |
| CLogP | 2.355 |
| CLogS | -6.034 |
| H Acceptors | 7 |
| TotalSurfaceArea | 260.8 |
| Relative PSA | 0.32669 |
| PolarSurfaceArea | 96.67 |
| Druglikeness | 5.3473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine