N-cyclopentyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide
Formula:C16H18N2O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopentyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide is a drug-like molecule.
| MolName | N-cyclopentyl-3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide |
| MolecularFormula | C16H18N2O2S3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NC1CCCC1 |
| InChI | InChI=1S/C16H18N2O2S3/c19-14(17-11-4-1-2-5-11)7-8-18-15(20)13(23-16(18)21)10-12-6-3-9-22-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19) |
| InChIK | QCBRTHWLVNTUKL-UHFFFAOYSA-N |
| TotalMolweight | 366.529 |
| Molweight | 366.529 |
| MonoisotopicMass | 366.053038 |
| CLogP | 2.0155 |
| CLogS | -4.489 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.43 |
| Relative PSA | 0.39691 |
| PolarSurfaceArea | 135.04 |
| Druglikeness | 3.4496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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