2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazole-4-carboxamide
Formula:C13H9N5OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C13H9N5OCl2S2 |
| Smiles | O=C(c1csc(Cn(cn2)c(Cl)c2Cl)n1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H9Cl2N5OS2/c14-11-12(15)20(7-16-11)5-10-18-9(6-23-10)13(21)19-17-4-8-2-1-3-22-8/h1-4,6-7H,5H2,(H,19,21) |
| InChIK | WWNSGHLPSRXIKQ-UHFFFAOYSA-N |
| TotalMolweight | 386.286 |
| Molweight | 386.286 |
| MonoisotopicMass | 384.962554 |
| CLogP | 3.0096 |
| CLogS | -3.051 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.95 |
| Relative PSA | 0.39096 |
| PolarSurfaceArea | 128.65 |
| Druglikeness | 8.7996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazole-4-carboxamide | 2 - 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazole-4-carboxamide
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