| MolName | [(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea |
| MolecularFormula | C17H17N5S2 |
| Smiles | NC(N/N=C\c1c(-c2ccccc2)nc2sc(CCCC3)c3n12)=S |
| InChI | InChI=1S/C17H17N5S2/c18-16(23)21-19-10-13-15(11-6-2-1-3-7-11)20-17-22(13)12-8-4-5-9-14(12)24-17/h1-3,6-7,10H,4-5,8-9H2,(H3,18,21,23) |
| InChIK | CLWPKPXAUTVJBA-UHFFFAOYSA-N |
| TotalMolweight | 355.489 |
| Molweight | 355.489 |
| MonoisotopicMass | 355.092535 |
| CLogP | 3.7024 |
| CLogS | -4.677 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.96 |
| Relative PSA | 0.388 |
| PolarSurfaceArea | 128.04 |
| Druglikeness | -0.41192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea | 2 - [(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea