(5Z)-3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H19N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H19N3O2S2 |
| Smiles | O=C(/C(/S1)=C/c2ccncc2)N(CCCN2CCOCC2)C1=S |
| InChI | InChI=1S/C16H19N3O2S2/c20-15-14(12-13-2-4-17-5-3-13)23-16(22)19(15)7-1-6-18-8-10-21-11-9-18/h2-5,12H,1,6-11H2 |
| InChIK | QRCRYLYGWAYBTK-UHFFFAOYSA-N |
| TotalMolweight | 349.478 |
| Molweight | 349.478 |
| MonoisotopicMass | 349.091867 |
| CLogP | 0.5194 |
| CLogS | -2.103 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.6 |
| Relative PSA | 0.32729 |
| PolarSurfaceArea | 103.06 |
| Druglikeness | 4.3368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-morpholin-4-ylpropyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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