(2E)-N-[4-(difluoromethylsulfanyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C16H10N4F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-[4-(difluoromethylsulfanyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-[4-(difluoromethylsulfanyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C16H10N4F2S2 |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc(cc1)ccc1SC(F)F |
| InChI | InChI=1S/C16H10F2N4S2/c17-16(18)23-11-7-5-10(6-8-11)21-22-13(9-19)15-20-12-3-1-2-4-14(12)24-15/h1-8,16,21H |
| InChIK | ROYHNTZLWQCQSH-UHFFFAOYSA-N |
| TotalMolweight | 360.411 |
| Molweight | 360.411 |
| MonoisotopicMass | 360.031492 |
| CLogP | 5.9265 |
| CLogS | -5.39 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.15 |
| Relative PSA | 0.32682 |
| PolarSurfaceArea | 114.61 |
| Druglikeness | -4.8325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-[4-(difluoromethylsulfanyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-[4-(difluoromethylsulfanyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide
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