(Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
Formula:C20H22N4OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine |
| MolecularFormula | C20H22N4OClS2 |
| Smiles | Clc1cc(/C=N\N(C(c2cccs2)=CS2)/C2=N/CC[NH+]2CCOCC2)ccc1 |
| InChI | InChI=1S/C20H21ClN4OS2/c21-17-4-1-3-16(13-17)14-23-25-18(19-5-2-12-27-19)15-28-20(25)22-6-7-24-8-10-26-11-9-24/h1-5,12-15H,6-11H2/p+1 |
| InChIK | ZHDWDIXXDWWDCW-UHFFFAOYSA-O |
| TotalMolweight | 434.007 |
| Molweight | 434.007 |
| MonoisotopicMass | 433.092353 |
| CLogP | 2.0817 |
| CLogS | -4.708 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.51 |
| Relative PSA | 0.27506 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | 3.8065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
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