N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Formula:C16H10N3O2BrS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide |
| MolecularFormula | C16H10N3O2BrS2 |
| Smiles | O=C(c1ccncc1)NN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S |
| InChI | InChI=1S/C16H10BrN3O2S2/c17-12-3-1-2-10(8-12)9-13-15(22)20(16(23)24-13)19-14(21)11-4-6-18-7-5-11/h1-9H,(H,19,21) |
| InChIK | XHJHCRLAUYOAJW-UHFFFAOYSA-N |
| TotalMolweight | 420.31 |
| Molweight | 420.31 |
| MonoisotopicMass | 418.939778 |
| CLogP | 1.1955 |
| CLogS | -4.723 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.08 |
| Relative PSA | 0.36253 |
| PolarSurfaceArea | 119.69 |
| Druglikeness | 2.1658 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide | 2 - N-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
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