2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C18H15N5O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H15N5O2Cl2S |
| Smiles | Nc1nnc(CC(N/N=C\c2cccc(OCc(ccc(Cl)c3)c3Cl)c2)=O)s1 |
| InChI | InChI=1S/C18H15Cl2N5O2S/c19-13-5-4-12(15(20)7-13)10-27-14-3-1-2-11(6-14)9-22-23-16(26)8-17-24-25-18(21)28-17/h1-7,9H,8,10H2,(H2,21,25)(H,23,26) |
| InChIK | IWWWEEIHYMAACT-UHFFFAOYSA-N |
| TotalMolweight | 436.322 |
| Molweight | 436.322 |
| MonoisotopicMass | 435.032349 |
| CLogP | 3.9255 |
| CLogS | -5.782 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 317.09 |
| Relative PSA | 0.32666 |
| PolarSurfaceArea | 130.73 |
| Druglikeness | 5.5404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off