6-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Formula:C17H12N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 6-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C17H12N4S2 |
| Smiles | C(c1cccs1)=N\Nc1c(cc(-c2ccccc2)s2)c2ncn1 |
| InChI | InChI=1S/C17H12N4S2/c1-2-5-12(6-3-1)15-9-14-16(18-11-19-17(14)23-15)21-20-10-13-7-4-8-22-13/h1-11H,(H,18,19,21) |
| InChIK | DEHRCRBMRIHKNC-UHFFFAOYSA-N |
| TotalMolweight | 336.442 |
| Molweight | 336.442 |
| MonoisotopicMass | 336.050336 |
| CLogP | 6.4294 |
| CLogS | -6.753 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253 |
| Relative PSA | 0.33846 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 4.1048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine | 2 - 6-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off