(Z)-N-benzyl-4-(furan-2-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C20H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-4-(furan-2-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-N-benzyl-4-(furan-2-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C20H16N4OS |
| Smiles | C(c1ccccc1)/N=C1\SC=C(c2ccco2)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H16N4OS/c1-2-6-16(7-3-1)13-22-20-24(23-14-17-8-4-10-21-12-17)18(15-26-20)19-9-5-11-25-19/h1-12,14-15H,13H2 |
| InChIK | QXNAASZXQFHCKG-UHFFFAOYSA-N |
| TotalMolweight | 360.44 |
| Molweight | 360.44 |
| MonoisotopicMass | 360.104481 |
| CLogP | 3.6559 |
| CLogS | -4.682 |
| H Acceptors | 5 |
| TotalSurfaceArea | 281.72 |
| Relative PSA | 0.24542 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | 4.096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 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 | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-4-(furan-2-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-4-(furan-2-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
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