(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
Formula:C20H14N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine |
| MolecularFormula | C20H14N4O2S2 |
| Smiles | C1Oc(cc(/C=N\N(C(c2cccs2)=CS2)/C2=N/c2cnccc2)cc2)c2O1 |
| InChI | InChI=1S/C20H14N4O2S2/c1-3-15(11-21-7-1)23-20-24(16(12-28-20)19-4-2-8-27-19)22-10-14-5-6-17-18(9-14)26-13-25-17/h1-12H,13H2 |
| InChIK | MSYLEWZAOVWKFM-UHFFFAOYSA-N |
| TotalMolweight | 406.489 |
| Molweight | 406.489 |
| MonoisotopicMass | 406.055816 |
| CLogP | 4.3412 |
| CLogS | -5.56 |
| H Acceptors | 6 |
| TotalSurfaceArea | 294.47 |
| Relative PSA | 0.32394 |
| PolarSurfaceArea | 112.85 |
| Druglikeness | 5.2894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
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