2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C16H13N3O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C16H13N3O2S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\C=C/c1ccco1 |
| InChI | InChI=1S/C16H13N3O2S2/c20-15(19-17-9-3-5-12-6-4-10-21-12)11-22-16-18-13-7-1-2-8-14(13)23-16/h1-10H,11H2,(H,19,20) |
| InChIK | AZEFLBLKJZXJRG-UHFFFAOYSA-N |
| TotalMolweight | 343.43 |
| Molweight | 343.43 |
| MonoisotopicMass | 343.044917 |
| CLogP | 3.1233 |
| CLogS | -5.073 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.73 |
| Relative PSA | 0.37516 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 4.658 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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