(2E)-N-(3-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C19H17N5O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(3-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-(3-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C19H17N5O3S2 |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc1cccc(S(N2CCOCC2)(=O)=O)c1 |
| InChI | InChI=1S/C19H17N5O3S2/c20-13-17(19-21-16-6-1-2-7-18(16)28-19)23-22-14-4-3-5-15(12-14)29(25,26)24-8-10-27-11-9-24/h1-7,12,22H,8-11H2 |
| InChIK | WTKWGCNOQOKCEI-UHFFFAOYSA-N |
| TotalMolweight | 427.508 |
| Molweight | 427.508 |
| MonoisotopicMass | 427.07728 |
| CLogP | 3.0744 |
| CLogS | -3.127 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 308.88 |
| Relative PSA | 0.35609 |
| PolarSurfaceArea | 144.3 |
| Druglikeness | -5.1998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-(3-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(3-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
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