N-[(Z)-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylideneamino]furan-2-carboxamide
Formula:C13H14N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C13H14N4O2S |
| Smiles | O=C(c1ccco1)N/N=C\c1cnc(N2CCCC2)s1 |
| InChI | InChI=1S/C13H14N4O2S/c18-12(11-4-3-7-19-11)16-15-9-10-8-14-13(20-10)17-5-1-2-6-17/h3-4,7-9H,1-2,5-6H2,(H,16,18) |
| InChIK | NRSJQWQIBDGUKF-UHFFFAOYSA-N |
| TotalMolweight | 290.346 |
| Molweight | 290.346 |
| MonoisotopicMass | 290.083746 |
| CLogP | 2.5888 |
| CLogS | -3.968 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.22 |
| Relative PSA | 0.38079 |
| PolarSurfaceArea | 98.97 |
| Druglikeness | 6.6292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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