N-[(Z)-(4-chlorophenyl)methylideneamino]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
Formula:C13H11N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine |
| MolecularFormula | C13H11N4ClS |
| Smiles | Clc1ccc(/C=N\NCc2cn(ccs3)c3n2)cc1 |
| InChI | InChI=1S/C13H11ClN4S/c14-11-3-1-10(2-4-11)7-15-16-8-12-9-18-5-6-19-13(18)17-12/h1-7,9,16H,8H2 |
| InChIK | KQBLOJGBBXLDHD-UHFFFAOYSA-N |
| TotalMolweight | 290.777 |
| Molweight | 290.777 |
| MonoisotopicMass | 290.039293 |
| CLogP | 2.8524 |
| CLogS | -3.103 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.37 |
| Relative PSA | 0.28507 |
| PolarSurfaceArea | 69.93 |
| Druglikeness | 4.3589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
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