(2Z)-N-(4-bromoanilino)-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H10N4BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-(4-bromoanilino)-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2Z)-N-(4-bromoanilino)-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H10N4BrFS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=N/Nc(cc1)ccc1Br |
| InChI | InChI=1S/C17H10BrFN4S/c18-12-3-7-14(8-4-12)22-23-15(9-20)17-21-16(10-24-17)11-1-5-13(19)6-2-11/h1-8,10,22H |
| InChIK | PTVBZZQZCRRLDJ-UHFFFAOYSA-N |
| TotalMolweight | 401.262 |
| Molweight | 401.262 |
| MonoisotopicMass | 399.979355 |
| CLogP | 5.4307 |
| CLogS | -5.613 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.6 |
| Relative PSA | 0.25264 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -3.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-N-(4-bromoanilino)-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2Z)-N-(4-bromoanilino)-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
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