N-[(Z)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C15H12N5OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H12N5OClS |
| Smiles | O=C(c1ccncc1)N/N=C\c1cccn1Cc(s1)cnc1Cl |
| InChI | InChI=1S/C15H12ClN5OS/c16-15-18-9-13(23-15)10-21-7-1-2-12(21)8-19-20-14(22)11-3-5-17-6-4-11/h1-9H,10H2,(H,20,22) |
| InChIK | MBEQVULYZQPWOE-UHFFFAOYSA-N |
| TotalMolweight | 345.813 |
| Molweight | 345.813 |
| MonoisotopicMass | 345.045107 |
| CLogP | 2.4805 |
| CLogS | -2.875 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 258.59 |
| Relative PSA | 0.3294 |
| PolarSurfaceArea | 100.41 |
| Druglikeness | 7.0971 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylideneamino]pyridine-4-carboxamide
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