N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzamide
Formula:C15H11N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzamide |
| MolecularFormula | C15H11N4OClS |
| Smiles | N/C(/NC(c1cccc(Cl)c1)=O)=N/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C15H11ClN4OS/c16-10-5-3-4-9(8-10)13(21)19-14(17)20-15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H3,17,18,19,20,21) |
| InChIK | YHIBIZWSEUDESP-UHFFFAOYSA-N |
| TotalMolweight | 330.798 |
| Molweight | 330.798 |
| MonoisotopicMass | 330.034208 |
| CLogP | 3.3815 |
| CLogS | -5.087 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.44 |
| Relative PSA | 0.34646 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | 1.6274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzamide | 2 - N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off