2-cyano-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]acetamide
Formula:C17H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C17H17N5O2S |
| Smiles | N#CCC(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C17H17N5O2S/c18-7-6-15(23)21-19-12-14-16(13-4-2-1-3-5-13)20-17(25-14)22-8-10-24-11-9-22/h1-5,12H,6,8-11H2,(H,21,23) |
| InChIK | JYLDFYIZKVHAOP-UHFFFAOYSA-N |
| TotalMolweight | 355.421 |
| Molweight | 355.421 |
| MonoisotopicMass | 355.110295 |
| CLogP | 2.5845 |
| CLogS | -4.693 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279 |
| Relative PSA | 0.33853 |
| PolarSurfaceArea | 118.85 |
| Druglikeness | -1.074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]acetamide
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