(Z)-N-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
Formula:C19H14N4S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-N-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine |
| MolecularFormula | C19H14N4S2 |
| Smiles | C(c1ncccc1)=N\N(C(c1cccs1)=CS1)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C19H14N4S2/c1-2-7-15(8-3-1)22-19-23(21-13-16-9-4-5-11-20-16)17(14-25-19)18-10-6-12-24-18/h1-14H |
| InChIK | UPJYAAKBWRGZPH-UHFFFAOYSA-N |
| TotalMolweight | 362.48 |
| Molweight | 362.48 |
| MonoisotopicMass | 362.065986 |
| CLogP | 4.2838 |
| CLogS | -4.873 |
| H Acceptors | 4 |
| TotalSurfaceArea | 274.21 |
| Relative PSA | 0.27494 |
| PolarSurfaceArea | 94.39 |
| Druglikeness | 5.5072 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-N-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine | 2 - (Z)-N-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
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