2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C18H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C18H17N5O2S |
| Smiles | Nc1nnc(CC(N/N=C\c2cc(OCc3ccccc3)ccc2)=O)s1 |
| InChI | InChI=1S/C18H17N5O2S/c19-18-23-22-17(26-18)10-16(24)21-20-11-14-7-4-8-15(9-14)25-12-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H2,19,23)(H,21,24) |
| InChIK | IDYPENDHVWHWEB-UHFFFAOYSA-N |
| TotalMolweight | 367.432 |
| Molweight | 367.432 |
| MonoisotopicMass | 367.110295 |
| CLogP | 2.7135 |
| CLogS | -4.31 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 286.25 |
| Relative PSA | 0.36185 |
| PolarSurfaceArea | 130.73 |
| Druglikeness | 5.4976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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