(Z)-1-(5-morpholin-4-ylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C11H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-morpholin-4-ylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-morpholin-4-ylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C11H13N5OS |
| Smiles | C(COCC1)N1c1ccc(/C=N\n2cnnc2)s1 |
| InChI | InChI=1S/C11H13N5OS/c1-2-11(15-3-5-17-6-4-15)18-10(1)7-14-16-8-12-13-9-16/h1-2,7-9H,3-6H2 |
| InChIK | DFOLIZKNAOSKGK-UHFFFAOYSA-N |
| TotalMolweight | 263.324 |
| Molweight | 263.324 |
| MonoisotopicMass | 263.08408 |
| CLogP | 0.9535 |
| CLogS | -4.573 |
| H Acceptors | 6 |
| TotalSurfaceArea | 202.28 |
| Relative PSA | 0.36697 |
| PolarSurfaceArea | 83.78 |
| Druglikeness | 5.2957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-(5-morpholin-4-ylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(5-morpholin-4-ylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
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