N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
Formula:C14H10N5O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide |
| MolecularFormula | C14H10N5O3ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(Cc1cn(ccs2)c2n1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C14H10ClN5O3S/c15-11-2-1-9(5-12(11)20(22)23)7-16-18-13(21)6-10-8-19-3-4-24-14(19)17-10/h1-5,7-8H,6H2,(H,18,21) |
| InChIK | AIXNVZFTGWKBFD-UHFFFAOYSA-N |
| TotalMolweight | 363.784 |
| Molweight | 363.784 |
| MonoisotopicMass | 363.019287 |
| CLogP | 1.8409 |
| CLogS | -3.657 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 259.79 |
| Relative PSA | 0.40691 |
| PolarSurfaceArea | 132.82 |
| Druglikeness | 0.47167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
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