| MolName | 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C12H12N4O2S |
| Smiles | Nc1nc(CC(N/N=C\c2cc(O)ccc2)=O)cs1 |
| InChI | InChI=1S/C12H12N4O2S/c13-12-15-9(7-19-12)5-11(18)16-14-6-8-2-1-3-10(17)4-8/h1-4,6-7,17H,5H2,(H2,13,15)(H,16,18) |
| InChIK | HLZZVUNIQWNMNX-UHFFFAOYSA-N |
| TotalMolweight | 276.319 |
| Molweight | 276.319 |
| MonoisotopicMass | 276.068096 |
| CLogP | 1.856 |
| CLogS | -3.223 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 210.32 |
| Relative PSA | 0.45507 |
| PolarSurfaceArea | 128.84 |
| Druglikeness | 6.4296 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide