N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C10H8N4O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C10H8N4O2S |
| Smiles | [O-][N+](c1c(/C=N/Nc2nccs2)cccc1)=O |
| InChI | InChI=1S/C10H8N4O2S/c15-14(16)9-4-2-1-3-8(9)7-12-13-10-11-5-6-17-10/h1-7H,(H,11,13) |
| InChIK | ZQBDDCZJHGZECJ-UHFFFAOYSA-N |
| TotalMolweight | 248.266 |
| Molweight | 248.266 |
| MonoisotopicMass | 248.036796 |
| CLogP | 3.3742 |
| CLogS | -3.342 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 187.61 |
| Relative PSA | 0.45158 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -2.3045 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
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