(E)-N-(cyclohexylideneamino)-3-(furan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
Formula:C20H21N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(cyclohexylideneamino)-3-(furan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (E)-N-(cyclohexylideneamino)-3-(furan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine |
| MolecularFormula | C20H21N3OS |
| Smiles | C(c1ccco1)N(C(c1ccccc1)=CS1)/C1=N\N=C1CCCCC1 |
| InChI | InChI=1S/C20H21N3OS/c1-3-8-16(9-4-1)19-15-25-20(22-21-17-10-5-2-6-11-17)23(19)14-18-12-7-13-24-18/h1,3-4,7-9,12-13,15H,2,5-6,10-11,14H2 |
| InChIK | ZPXVMSAWHDHLTP-UHFFFAOYSA-N |
| TotalMolweight | 351.473 |
| Molweight | 351.473 |
| MonoisotopicMass | 351.140532 |
| CLogP | 5.8157 |
| CLogS | -5.518 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.71 |
| Relative PSA | 0.21022 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -1.6893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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