2-[4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
Formula:C15H10N4O5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide is a drug-like molecule.
| MolName | 2-[4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide |
| MolecularFormula | C15H10N4O5S3 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2)=O)\SC2=S)c1OCC(Nc1nccs1)=O)=O |
| InChI | InChI=1S/C15H10N4O5S3/c20-12(17-14-16-3-4-26-14)7-24-10-2-1-9(19(22)23)5-8(10)6-11-13(21)18-15(25)27-11/h1-6H,7H2,(H,16,17,20)(H,18,21,25) |
| InChIK | WOWSVBGCCTXEGX-UHFFFAOYSA-N |
| TotalMolweight | 422.465 |
| Molweight | 422.465 |
| MonoisotopicMass | 421.981331 |
| CLogP | 0.5703 |
| CLogS | -4.985 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 294.98 |
| Relative PSA | 0.56356 |
| PolarSurfaceArea | 211.77 |
| Druglikeness | -2.0565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide | 2 - 2-[4-nitro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
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