N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
Formula:C14H10N4O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C14H10N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)o1)=O |
| InChI | InChI=1S/C14H10N4O3S/c19-18(20)13-7-6-11(21-13)8-15-17-14-16-12(9-22-14)10-4-2-1-3-5-10/h1-9H,(H,16,17) |
| InChIK | FXGWSSDZQZSBNC-UHFFFAOYSA-N |
| TotalMolweight | 314.324 |
| Molweight | 314.324 |
| MonoisotopicMass | 314.047361 |
| CLogP | 4.6645 |
| CLogS | -5.327 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 237.06 |
| Relative PSA | 0.4169 |
| PolarSurfaceArea | 124.48 |
| Druglikeness | 2.2176 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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