N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide
Formula:C16H11N4O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C16H11N4O2ClS |
| Smiles | O=C(c1ccncc1)N/N=C\C(SC(N1c2ccccc2)=O)=C1Cl |
| InChI | InChI=1S/C16H11ClN4O2S/c17-14-13(10-19-20-15(22)11-6-8-18-9-7-11)24-16(23)21(14)12-4-2-1-3-5-12/h1-10H,(H,20,22) |
| InChIK | XWQDHZLVYYVOOM-UHFFFAOYSA-N |
| TotalMolweight | 358.808 |
| Molweight | 358.808 |
| MonoisotopicMass | 358.029123 |
| CLogP | 2.6481 |
| CLogS | -5.055 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.13 |
| Relative PSA | 0.31648 |
| PolarSurfaceArea | 99.96 |
| Druglikeness | 6.4859 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide
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