| MolName | [(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea |
| MolecularFormula | C14H17N5OS2 |
| Smiles | NC(N/N=C\c1c(-c2cccs2)nc(N2CCCCC2)s1)=O |
| InChI | InChI=1S/C14H17N5OS2/c15-13(20)18-16-9-11-12(10-5-4-8-21-10)17-14(22-11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H3,15,18,20) |
| InChIK | ZIMUJUSYQGZTEM-UHFFFAOYSA-N |
| TotalMolweight | 335.455 |
| Molweight | 335.455 |
| MonoisotopicMass | 335.08745 |
| CLogP | 3.4495 |
| CLogS | -5.348 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.75 |
| Relative PSA | 0.42312 |
| PolarSurfaceArea | 140.09 |
| Druglikeness | 6.0796 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea | 2 - [(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea