[(Z)-[5-[(1S)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]thiourea
Formula:C11H13N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[5-[(1S)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-[(1S)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]thiourea |
| MolecularFormula | C11H13N3S2 |
| Smiles | NC(N/N=C\c1ccc([C@@H]2C=CCC2)s1)=S |
| InChI | InChI=1S/C11H13N3S2/c12-11(15)14-13-7-9-5-6-10(16-9)8-3-1-2-4-8/h1,3,5-8H,2,4H2,(H3,12,14,15)/t8-/m1/s1 |
| InChIK | UYURDDGRRKJUDV-MRVPVSSYSA-N |
| TotalMolweight | 251.377 |
| Molweight | 251.377 |
| MonoisotopicMass | 251.055087 |
| CLogP | 3.0002 |
| CLogS | -4.287 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 199.67 |
| Relative PSA | 0.43372 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | 0.51832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
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1 - [(Z)-[5-[(1S)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]thiourea | 2 - [(Z)-[5-[(1S)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]thiourea
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