(5Z)-2-amino-5-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:C13H8N2O2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C13H8N2O2I2S |
| Smiles | C#CCOc(c(/C=C1\SC(N)=NC1=O)cc(I)c1)c1I |
| InChI | InChI=1S/C13H8I2N2O2S/c1-2-3-19-11-7(4-8(14)6-9(11)15)5-10-12(18)17-13(16)20-10/h1,4-6H,3H2,(H2,16,17,18) |
| InChIK | SFNVADDKISJDPX-UHFFFAOYSA-N |
| TotalMolweight | 510.085 |
| Molweight | 510.085 |
| MonoisotopicMass | 509.839594 |
| CLogP | 1.8294 |
| CLogS | -5.963 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.33 |
| Relative PSA | 0.26782 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.6021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[(3,5-diiodo-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one
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