2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C17H14N3OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C17H14N3OClS3 |
| Smiles | O=C(CSCc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C17H14ClN3OS3/c18-13-5-3-12(4-6-13)15-9-25-17(20-15)11-23-10-16(22)21-19-8-14-2-1-7-24-14/h1-9H,10-11H2,(H,21,22) |
| InChIK | JBQFMUDHUIBAML-UHFFFAOYSA-N |
| TotalMolweight | 407.969 |
| Molweight | 407.969 |
| MonoisotopicMass | 406.998749 |
| CLogP | 4.4441 |
| CLogS | -6.061 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.82 |
| Relative PSA | 0.3532 |
| PolarSurfaceArea | 136.13 |
| Druglikeness | 6.8732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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