(Z)-4-(furan-2-yl)-N-pyridin-3-yl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C18H13N5OS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(furan-2-yl)-N-pyridin-3-yl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-(furan-2-yl)-N-pyridin-3-yl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C18H13N5OS |
| Smiles | C(c1ncccc1)=N\N(C(c1ccco1)=CS1)/C1=N/c1cnccc1 |
| InChI | InChI=1S/C18H13N5OS/c1-2-9-20-14(5-1)12-21-23-16(17-7-4-10-24-17)13-25-18(23)22-15-6-3-8-19-11-15/h1-13H |
| InChIK | ZPMNBVBHVJGVDQ-UHFFFAOYSA-N |
| TotalMolweight | 347.401 |
| Molweight | 347.401 |
| MonoisotopicMass | 347.08408 |
| CLogP | 2.605 |
| CLogS | -3.75 |
| H Acceptors | 6 |
| TotalSurfaceArea | 266.72 |
| Relative PSA | 0.30035 |
| PolarSurfaceArea | 92.18 |
| Druglikeness | 3.5305 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-4-(furan-2-yl)-N-pyridin-3-yl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(furan-2-yl)-N-pyridin-3-yl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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