N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
Formula:C18H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C18H20N4O2S |
| Smiles | O=C(C1CC1)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C18H20N4O2S/c23-17(14-6-7-14)21-19-12-15-16(13-4-2-1-3-5-13)20-18(25-15)22-8-10-24-11-9-22/h1-5,12,14H,6-11H2,(H,21,23) |
| InChIK | VCLPZTNEOMEHPT-UHFFFAOYSA-N |
| TotalMolweight | 356.449 |
| Molweight | 356.449 |
| MonoisotopicMass | 356.130696 |
| CLogP | 3.2026 |
| CLogS | -4.791 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.05 |
| Relative PSA | 0.29954 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | 7.2539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]cyclopropanecarboxamide
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