N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
Formula:C13H10N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C13H10N4O2S |
| Smiles | O=C(c1ccco1)N/N=C\c1cccn1-c1nccs1 |
| InChI | InChI=1S/C13H10N4O2S/c18-12(11-4-2-7-19-11)16-15-9-10-3-1-6-17(10)13-14-5-8-20-13/h1-9H,(H,16,18) |
| InChIK | CKXWPDSDPPRMGD-UHFFFAOYSA-N |
| TotalMolweight | 286.314 |
| Molweight | 286.314 |
| MonoisotopicMass | 286.052446 |
| CLogP | 2.3056 |
| CLogS | -4.662 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 220.34 |
| Relative PSA | 0.40084 |
| PolarSurfaceArea | 100.66 |
| Druglikeness | 5.7879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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