N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C18H11N5O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C18H11N5O4S2 |
| Smiles | [O-][N+](c(cc1)cc2c1nc(Sc1ccc(/C=N\NC(c3ccncc3)=O)o1)s2)=O |
| InChI | InChI=1S/C18H11N5O4S2/c24-17(11-5-7-19-8-6-11)22-20-10-13-2-4-16(27-13)29-18-21-14-3-1-12(23(25)26)9-15(14)28-18/h1-10H,(H,22,24) |
| InChIK | GJVUXPLEBIMADS-UHFFFAOYSA-N |
| TotalMolweight | 425.448 |
| Molweight | 425.448 |
| MonoisotopicMass | 425.025245 |
| CLogP | 2.8882 |
| CLogS | -5.453 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 305.66 |
| Relative PSA | 0.4591 |
| PolarSurfaceArea | 179.74 |
| Druglikeness | 1.6175 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off