(5Z)-2-amino-5-(quinolin-4-ylmethylidene)-1,3-thiazol-4-one
Formula:C13H9N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-2-amino-5-(quinolin-4-ylmethylidene)-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-(quinolin-4-ylmethylidene)-1,3-thiazol-4-one |
| MolecularFormula | C13H9N3OS |
| Smiles | NC(S/C1=C\c2ccnc3ccccc23)=NC1=O |
| InChI | InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-5-6-15-10-4-2-1-3-9(8)10/h1-7H,(H2,14,16,17) |
| InChIK | MBHBIJDGRZJPJU-UHFFFAOYSA-N |
| TotalMolweight | 255.3 |
| Molweight | 255.3 |
| MonoisotopicMass | 255.046632 |
| CLogP | 1.314 |
| CLogS | -3.995 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 184.56 |
| Relative PSA | 0.36996 |
| PolarSurfaceArea | 93.64 |
| Druglikeness | 2.2231 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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