| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C18H18N4O4S2 |
| Smiles | O=S(c1cc(-c2csc(N/N=C\c3ccco3)n2)ccc1)(N1CCOCC1)=O |
| InChI | InChI=1S/C18H18N4O4S2/c23-28(24,22-6-9-25-10-7-22)16-5-1-3-14(11-16)17-13-27-18(20-17)21-19-12-15-4-2-8-26-15/h1-5,8,11-13H,6-7,9-10H2,(H,20,21) |
| InChIK | CPKCQDLLHVZCPI-UHFFFAOYSA-N |
| TotalMolweight | 418.497 |
| Molweight | 418.497 |
| MonoisotopicMass | 418.076946 |
| CLogP | 4.4479 |
| CLogS | -3.548 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 303.81 |
| Relative PSA | 0.36385 |
| PolarSurfaceArea | 133.65 |
| Druglikeness | 0.92534 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine