[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
Formula:C7H6N5ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea |
| MolecularFormula | C7H6N5ClS2 |
| Smiles | NC(N/N=C\c(n(ccs1)c1n1)c1Cl)=S |
| InChI | InChI=1S/C7H6ClN5S2/c8-5-4(3-10-12-6(9)14)13-1-2-15-7(13)11-5/h1-3H,(H3,9,12,14) |
| InChIK | PMQUFDDJCXFSBT-UHFFFAOYSA-N |
| TotalMolweight | 259.745 |
| Molweight | 259.745 |
| MonoisotopicMass | 258.975312 |
| CLogP | 1.3626 |
| CLogS | -2.172 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 186.08 |
| Relative PSA | 0.56707 |
| PolarSurfaceArea | 128.04 |
| Druglikeness | 3.9808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 8 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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