(5E)-2-amino-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazol-4-one
Formula:C14H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-amino-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5E)-2-amino-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C14H14N4O4S |
| Smiles | NC(S/C1=C/c(cc(cc2)[N+]([O-])=O)c2N2CCOCC2)=NC1=O |
| InChI | InChI=1S/C14H14N4O4S/c15-14-16-13(19)12(23-14)8-9-7-10(18(20)21)1-2-11(9)17-3-5-22-6-4-17/h1-2,7-8H,3-6H2,(H2,15,16,19) |
| InChIK | MWKHZLAYQYFCJM-UHFFFAOYSA-N |
| TotalMolweight | 334.355 |
| Molweight | 334.355 |
| MonoisotopicMass | 334.073576 |
| CLogP | -0.3136 |
| CLogS | -3.852 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 236.71 |
| Relative PSA | 0.42787 |
| PolarSurfaceArea | 139.04 |
| Druglikeness | -1.6534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-2-amino-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-amino-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazol-4-one
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