(2E)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H11N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-(4-bromoanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H11N4BrS |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=N\Nc(cc1)ccc1Br |
| InChI | InChI=1S/C17H11BrN4S/c18-13-6-8-14(9-7-13)21-22-15(10-19)17-20-16(11-23-17)12-4-2-1-3-5-12/h1-9,11,21H |
| InChIK | JWJMOWFLWOZWDW-UHFFFAOYSA-N |
| TotalMolweight | 383.272 |
| Molweight | 383.272 |
| MonoisotopicMass | 381.988777 |
| CLogP | 5.3299 |
| CLogS | -5.299 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.25 |
| Relative PSA | 0.25876 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -2.1699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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