7-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
Formula:C12H8N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is a drug-like molecule.
| MolName | 7-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide |
| MolecularFormula | C12H8N4O2S2 |
| Smiles | O=C(C(N(C=CS1)C1=N1)=CC1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H8N4O2S2/c17-10-6-9(16-3-5-20-12(16)14-10)11(18)15-13-7-8-2-1-4-19-8/h1-7H,(H,15,18) |
| InChIK | HBDJYKCPFQCSPZ-UHFFFAOYSA-N |
| TotalMolweight | 304.354 |
| Molweight | 304.354 |
| MonoisotopicMass | 304.008866 |
| CLogP | 1.1071 |
| CLogS | -3.884 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 215.89 |
| Relative PSA | 0.47228 |
| PolarSurfaceArea | 127.67 |
| Druglikeness | 5.8427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 7-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide | 2 - 7-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
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