(5Z)-2-amino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazol-4-one
Formula:C14H15N3O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-2-amino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C14H15N3O2S |
| Smiles | NC(S/C1=C\c(cc2)ccc2N2CCOCC2)=NC1=O |
| InChI | InChI=1S/C14H15N3O2S/c15-14-16-13(18)12(20-14)9-10-1-3-11(4-2-10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H2,15,16,18) |
| InChIK | XFQADOCRAMSUKM-UHFFFAOYSA-N |
| TotalMolweight | 289.358 |
| Molweight | 289.358 |
| MonoisotopicMass | 289.088497 |
| CLogP | 0.667 |
| CLogS | -3.392 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 213.04 |
| Relative PSA | 0.33261 |
| PolarSurfaceArea | 93.22 |
| Druglikeness | 3.3798 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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