2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C12H11N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C12H11N5O3S |
| Smiles | Nc1nc(CC(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)cs1 |
| InChI | InChI=1S/C12H11N5O3S/c13-12-15-9(7-21-12)5-11(18)16-14-6-8-3-1-2-4-10(8)17(19)20/h1-4,6-7H,5H2,(H2,13,15)(H,16,18) |
| InChIK | WSQMSBGAXZJIMT-UHFFFAOYSA-N |
| TotalMolweight | 305.317 |
| Molweight | 305.317 |
| MonoisotopicMass | 305.05826 |
| CLogP | 1.1097 |
| CLogS | -3.979 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 227.64 |
| Relative PSA | 0.49653 |
| PolarSurfaceArea | 154.43 |
| Druglikeness | 1.3557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
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