N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C13H8N5ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C13H8N5ClS2 |
| Smiles | Clc1c(/C=N\Nc2nc(cccc3)c3s2)n(ccs2)c2n1 |
| InChI | InChI=1S/C13H8ClN5S2/c14-11-9(19-5-6-20-13(19)17-11)7-15-18-12-16-8-3-1-2-4-10(8)21-12/h1-7H,(H,16,18) |
| InChIK | OGSPAUAIBBQAAQ-UHFFFAOYSA-N |
| TotalMolweight | 333.827 |
| Molweight | 333.827 |
| MonoisotopicMass | 332.990962 |
| CLogP | 5.4739 |
| CLogS | -3.39 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.91 |
| Relative PSA | 0.40007 |
| PolarSurfaceArea | 111.06 |
| Druglikeness | 3.8916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-amine
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