2-[(5R)-2-cyclopropylimino-4-oxo-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazolidin-5-yl]-N-(3,5-dichlorophenyl)acetamide
Formula:C20H17N5O2Cl2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(5R)-2-cyclopropylimino-4-oxo-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazolidin-5-yl]-N-(3,5-dichlorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(5R)-2-cyclopropylimino-4-oxo-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazolidin-5-yl]-N-(3,5-dichlorophenyl)acetamide |
| MolecularFormula | C20H17N5O2Cl2S |
| Smiles | O=C(C[C@H](C(N1/N=C\c2ncccc2)=O)S/C1=N\C1CC1)Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C20H17Cl2N5O2S/c21-12-7-13(22)9-16(8-12)25-18(28)10-17-19(29)27(20(30-17)26-14-4-5-14)24-11-15-3-1-2-6-23-15/h1-3,6-9,11,14,17H,4-5,10H2,(H,25,28)/t17-/m1/s1 |
| InChIK | JZEGUQSHUCGCTG-QGZVFWFLSA-N |
| TotalMolweight | 462.36 |
| Molweight | 462.36 |
| MonoisotopicMass | 461.047999 |
| CLogP | 3.7208 |
| CLogS | -5.875 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.38 |
| Relative PSA | 0.28538 |
| PolarSurfaceArea | 112.32 |
| Druglikeness | 7.0316 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[(5R)-2-cyclopropylimino-4-oxo-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazolidin-5-yl]-N-(3,5-dichlorophenyl)acetamide | 2 - 2-[(5R)-2-cyclopropylimino-4-oxo-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazolidin-5-yl]-N-(3,5-dichlorophenyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off