(Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine
Formula:C12H12N4O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine |
| MolecularFormula | C12H12N4O2S3 |
| Smiles | [O-][N+](c1ccc(-c2nc(/C=N\N3CCSCC3)cs2)s1)=O |
| InChI | InChI=1S/C12H12N4O2S3/c17-16(18)11-2-1-10(21-11)12-14-9(8-20-12)7-13-15-3-5-19-6-4-15/h1-2,7-8H,3-6H2 |
| InChIK | UAPKWJMIKHIXBN-UHFFFAOYSA-N |
| TotalMolweight | 340.451 |
| Molweight | 340.451 |
| MonoisotopicMass | 340.012236 |
| CLogP | 1.899 |
| CLogS | -3.399 |
| H Acceptors | 6 |
| TotalSurfaceArea | 241.42 |
| Relative PSA | 0.47494 |
| PolarSurfaceArea | 156.09 |
| Druglikeness | 1.0217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine | 2 - (Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off