(NZ)-N-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]hydroxylamine
Formula:C14H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]hydroxylamine |
| MolecularFormula | C14H16N4OS |
| Smiles | O/N=C\c1cnc(N(CC2)CCN2c2ccccc2)s1 |
| InChI | InChI=1S/C14H16N4OS/c19-16-11-13-10-15-14(20-13)18-8-6-17(7-9-18)12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2 |
| InChIK | ZNPRVYBMAZDKEJ-UHFFFAOYSA-N |
| TotalMolweight | 288.374 |
| Molweight | 288.374 |
| MonoisotopicMass | 288.104481 |
| CLogP | 3.1954 |
| CLogS | -3.608 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.97 |
| Relative PSA | 0.28529 |
| PolarSurfaceArea | 80.2 |
| Druglikeness | 5.7733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]hydroxylamine
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