[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea
Formula:C15H13N5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea |
| MolecularFormula | C15H13N5S2 |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=S |
| InChI | InChI=1S/C15H13N5S2/c16-15(21)18-17-9-11-10-20(12-5-2-1-3-6-12)19-14(11)13-7-4-8-22-13/h1-10H,(H3,16,18,21) |
| InChIK | QBKKUSGHAYXOHD-UHFFFAOYSA-N |
| TotalMolweight | 327.435 |
| Molweight | 327.435 |
| MonoisotopicMass | 327.061235 |
| CLogP | 2.4745 |
| CLogS | -4.332 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 254.13 |
| Relative PSA | 0.41097 |
| PolarSurfaceArea | 128.56 |
| Druglikeness | 5.5811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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