N-[(Z)-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
Formula:C15H11N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C15H11N3O4S2 |
| Smiles | O=C(c1ccco1)N/N=C\c(s1)cnc1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H11N3O4S2/c19-14(13-7-4-8-22-13)18-17-10-11-9-16-15(23-11)24(20,21)12-5-2-1-3-6-12/h1-10H,(H,18,19) |
| InChIK | OCNUARRHCPFKMK-UHFFFAOYSA-N |
| TotalMolweight | 361.401 |
| Molweight | 361.401 |
| MonoisotopicMass | 361.019097 |
| CLogP | 2.5025 |
| CLogS | -4.651 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.72 |
| Relative PSA | 0.42365 |
| PolarSurfaceArea | 138.25 |
| Druglikeness | -3.0485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
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