(Z)-3-(furan-2-ylmethyl)-4-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C20H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(furan-2-ylmethyl)-4-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-(furan-2-ylmethyl)-4-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C20H16N4OS |
| Smiles | C(c1ccco1)N(C(c1ccccc1)=CS1)/C1=N\N=C/c1ccncc1 |
| InChI | InChI=1S/C20H16N4OS/c1-2-5-17(6-3-1)19-15-26-20(24(19)14-18-7-4-12-25-18)23-22-13-16-8-10-21-11-9-16/h1-13,15H,14H2 |
| InChIK | KZOCCFWDFHSEAL-UHFFFAOYSA-N |
| TotalMolweight | 360.44 |
| Molweight | 360.44 |
| MonoisotopicMass | 360.104481 |
| CLogP | 5.0641 |
| CLogS | -4.861 |
| H Acceptors | 5 |
| TotalSurfaceArea | 281.72 |
| Relative PSA | 0.24542 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | 4.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-3-(furan-2-ylmethyl)-4-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-3-(furan-2-ylmethyl)-4-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
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