N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
Formula:C18H15N6O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C18H15N6O2ClS |
| Smiles | O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H15ClN6O2S/c19-14-9-5-4-6-12(14)11-20-23-15(26)10-16-24-25-18(28-16)22-17(27)21-13-7-2-1-3-8-13/h1-9,11H,10H2,(H,23,26)(H2,21,22,25,27) |
| InChIK | DPYRTJLXTNVLCV-UHFFFAOYSA-N |
| TotalMolweight | 414.876 |
| Molweight | 414.876 |
| MonoisotopicMass | 414.066571 |
| CLogP | 3.7901 |
| CLogS | -5.657 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 310.06 |
| Relative PSA | 0.36854 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 6.4891 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
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