| MolName | 4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C14H9N3Cl2S2 |
| Smiles | Clc(cc1)cc(Cl)c1-c1csc(N/N=C\c2cccs2)n1 |
| InChI | InChI=1S/C14H9Cl2N3S2/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19) |
| InChIK | QYWXPZMVCMRXOL-UHFFFAOYSA-N |
| TotalMolweight | 354.284 |
| Molweight | 354.284 |
| MonoisotopicMass | 352.961491 |
| CLogP | 7.295 |
| CLogS | -6.142 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.48 |
| Relative PSA | 0.29807 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 5.2842 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 4-(2,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine