[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]thiourea
Formula:C10H14N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]thiourea |
| MolecularFormula | C10H14N4OS2 |
| Smiles | NC(N/N=C\c1ccc(N2CCOCC2)s1)=S |
| InChI | InChI=1S/C10H14N4OS2/c11-10(16)13-12-7-8-1-2-9(17-8)14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H3,11,13,16) |
| InChIK | JYMDAKCMCBEWFZ-UHFFFAOYSA-N |
| TotalMolweight | 270.38 |
| Molweight | 270.38 |
| MonoisotopicMass | 270.060901 |
| CLogP | 1.2572 |
| CLogS | -3.161 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 208.49 |
| Relative PSA | 0.48036 |
| PolarSurfaceArea | 123.21 |
| Druglikeness | 4.6893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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