(2E)-4-(4-bromophenyl)-N-(3-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H10N4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-4-(4-bromophenyl)-N-(3-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-4-(4-bromophenyl)-N-(3-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H10N4BrClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=N\Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C17H10BrClN4S/c18-12-6-4-11(5-7-12)16-10-24-17(21-16)15(9-20)23-22-14-3-1-2-13(19)8-14/h1-8,10,22H |
| InChIK | KBVGALAGUZUZDG-UHFFFAOYSA-N |
| TotalMolweight | 417.717 |
| Molweight | 417.717 |
| MonoisotopicMass | 415.949804 |
| CLogP | 5.9359 |
| CLogS | -6.035 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.67 |
| Relative PSA | 0.24439 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -2.149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-4-(4-bromophenyl)-N-(3-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2E)-4-(4-bromophenyl)-N-(3-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
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