[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] cyclopropanecarboxylate
Formula:C16H13N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C16H13N3O2S |
| Smiles | O=C(C1CC1)O/N=C\c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C16H13N3O2S/c20-15(12-6-7-12)21-17-10-13-14(11-4-2-1-3-5-11)18-16-19(13)8-9-22-16/h1-5,8-10,12H,6-7H2 |
| InChIK | MNNQMCGOEWWLKL-UHFFFAOYSA-N |
| TotalMolweight | 311.364 |
| Molweight | 311.364 |
| MonoisotopicMass | 311.072847 |
| CLogP | 3.6698 |
| CLogS | -3.67 |
| H Acceptors | 5 |
| TotalSurfaceArea | 232 |
| Relative PSA | 0.31823 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | 0.26628 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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