(Z)-N-benzyl-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
Formula:C21H16N3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-benzyl-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine |
| MolecularFormula | C21H16N3ClS2 |
| Smiles | Clc1cc(/C=N\N(C(c2cccs2)=CS2)/C2=N/Cc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16ClN3S2/c22-18-9-4-8-17(12-18)14-24-25-19(20-10-5-11-26-20)15-27-21(25)23-13-16-6-2-1-3-7-16/h1-12,14-15H,13H2 |
| InChIK | RPOULNZWFPVKGD-UHFFFAOYSA-N |
| TotalMolweight | 409.964 |
| Molweight | 409.964 |
| MonoisotopicMass | 409.047414 |
| CLogP | 5.9407 |
| CLogS | -6.541 |
| H Acceptors | 3 |
| TotalSurfaceArea | 304.63 |
| Relative PSA | 0.21147 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 6.0308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
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