2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-thiazole-4-carboxamide
Formula:C15H10N6O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C15H10N6O3Cl2S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2csc(Cn(cn3)c(Cl)c3Cl)n2)=O)c1)=O |
| InChI | InChI=1S/C15H10Cl2N6O3S/c16-13-14(17)22(8-18-13)6-12-20-11(7-27-12)15(24)21-19-5-9-2-1-3-10(4-9)23(25)26/h1-5,7-8H,6H2,(H,21,24) |
| InChIK | LIOHCHLBGAHVMN-UHFFFAOYSA-N |
| TotalMolweight | 425.255 |
| Molweight | 425.255 |
| MonoisotopicMass | 423.991213 |
| CLogP | 2.051 |
| CLogS | -3.501 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 297.68 |
| Relative PSA | 0.38834 |
| PolarSurfaceArea | 146.23 |
| Druglikeness | 3.2308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-thiazole-4-carboxamide | 2 - 2-[(4,5-dichloroimidazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-thiazole-4-carboxamide
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