(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H17N2O3FS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H17N2O3FS2 |
| Smiles | O=C(/C(/S1)=C\c2ccc(-c(cc3)ccc3F)o2)N(CN2CCOCC2)C1=S |
| InChI | InChI=1S/C19H17FN2O3S2/c20-14-3-1-13(2-4-14)16-6-5-15(25-16)11-17-18(23)22(19(26)27-17)12-21-7-9-24-10-8-21/h1-6,11H,7-10,12H2 |
| InChIK | COLUEPFERORABP-UHFFFAOYSA-N |
| TotalMolweight | 404.485 |
| Molweight | 404.485 |
| MonoisotopicMass | 404.066461 |
| CLogP | 2.125 |
| CLogS | -4.931 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.12 |
| Relative PSA | 0.30511 |
| PolarSurfaceArea | 103.31 |
| Druglikeness | 3.1106 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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