(2E)-N-(4-sulfamoylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C15H11N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(4-sulfamoylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-(4-sulfamoylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C15H11N5O2S2 |
| Smiles | NS(c(cc1)ccc1N/N=C(/c1nc(cccc2)c2s1)\C#N)(=O)=O |
| InChI | InChI=1S/C15H11N5O2S2/c16-9-13(15-18-12-3-1-2-4-14(12)23-15)20-19-10-5-7-11(8-6-10)24(17,21)22/h1-8,19H,(H2,17,21,22) |
| InChIK | SYJKCUYASQGEQV-UHFFFAOYSA-N |
| TotalMolweight | 357.417 |
| Molweight | 357.417 |
| MonoisotopicMass | 357.035415 |
| CLogP | 2.7956 |
| CLogS | -3.82 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 255.56 |
| Relative PSA | 0.43712 |
| PolarSurfaceArea | 157.85 |
| Druglikeness | 0.28027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-(4-sulfamoylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(4-sulfamoylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
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