N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
Formula:C14H10N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide |
| MolecularFormula | C14H10N4OCl2S |
| Smiles | O=C(Cc1cn(ccs2)c2n1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C14H10Cl2N4OS/c15-11-2-1-3-12(16)10(11)7-17-19-13(21)6-9-8-20-4-5-22-14(20)18-9/h1-5,7-8H,6H2,(H,19,21) |
| InChIK | UWXLHMCJWOHMDR-UHFFFAOYSA-N |
| TotalMolweight | 353.232 |
| Molweight | 353.232 |
| MonoisotopicMass | 351.995235 |
| CLogP | 3.5389 |
| CLogS | -3.933 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.54 |
| Relative PSA | 0.29932 |
| PolarSurfaceArea | 87 |
| Druglikeness | 5.5537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
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