3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N4OS3 |
| Smiles | O=C(CSC1=S)N1/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C17H12N4OS3/c22-15-11-25-17(23)21(15)18-9-12-10-20(13-5-2-1-3-6-13)19-16(12)14-7-4-8-24-14/h1-10H,11H2 |
| InChIK | UDBYJJNINJLKGE-UHFFFAOYSA-N |
| TotalMolweight | 384.507 |
| Molweight | 384.507 |
| MonoisotopicMass | 384.017321 |
| CLogP | 1.8843 |
| CLogS | -4.699 |
| H Acceptors | 5 |
| TotalSurfaceArea | 279.95 |
| Relative PSA | 0.39932 |
| PolarSurfaceArea | 136.12 |
| Druglikeness | 5.6485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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