| MolName | [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate |
| MolecularFormula | C14H10N3O2ClS |
| Smiles | O=C(CCl)O/N=C\c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C14H10ClN3O2S/c15-8-12(19)20-16-9-11-13(10-4-2-1-3-5-10)17-14-18(11)6-7-21-14/h1-7,9H,8H2 |
| InChIK | HCKWNYRQXIQVCO-UHFFFAOYSA-N |
| TotalMolweight | 319.771 |
| Molweight | 319.771 |
| MonoisotopicMass | 319.018224 |
| CLogP | 3.581 |
| CLogS | -3.555 |
| H Acceptors | 5 |
| TotalSurfaceArea | 234.66 |
| Relative PSA | 0.31463 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -2.2888 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate | 2 - [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate