1-(2-morpholin-4-ylethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
Formula:C12H18N4OS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2-morpholin-4-ylethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(2-morpholin-4-ylethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea |
| MolecularFormula | C12H18N4OS2 |
| Smiles | S=C(NCCN1CCOCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H18N4OS2/c18-12(15-14-10-11-2-1-9-19-11)13-3-4-16-5-7-17-8-6-16/h1-2,9-10H,3-8H2,(H2,13,15,18) |
| InChIK | GQOBKWXOUULRMU-UHFFFAOYSA-N |
| TotalMolweight | 298.434 |
| Molweight | 298.434 |
| MonoisotopicMass | 298.092201 |
| CLogP | 1.4189 |
| CLogS | -2.314 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.95 |
| Relative PSA | 0.40318 |
| PolarSurfaceArea | 109.22 |
| Druglikeness | 5.8772 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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