N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
Formula:C19H13N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide |
| MolecularFormula | C19H13N4OBrS |
| Smiles | O=C(c1ccccc1)N/N=C\c1c(-c(cc2)ccc2Br)nc2sccn12 |
| InChI | InChI=1S/C19H13BrN4OS/c20-15-8-6-13(7-9-15)17-16(24-10-11-26-19(24)22-17)12-21-23-18(25)14-4-2-1-3-5-14/h1-12H,(H,23,25) |
| InChIK | HAOLAWAWXBCDNB-UHFFFAOYSA-N |
| TotalMolweight | 425.309 |
| Molweight | 425.309 |
| MonoisotopicMass | 423.999342 |
| CLogP | 4.8042 |
| CLogS | -5.108 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.33 |
| Relative PSA | 0.26387 |
| PolarSurfaceArea | 87 |
| Druglikeness | 3.7651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide | 2 - N-[(Z)-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
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