(6E)-5-imino-2-(thiophen-2-ylmethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C15H10N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-5-imino-2-(thiophen-2-ylmethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6E)-5-imino-2-(thiophen-2-ylmethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C15H10N4OS3 |
| Smiles | N=C(/C1=C\c2cccs2)N2N=C(Cc3cccs3)SC2=NC1=O |
| InChI | InChI=1S/C15H10N4OS3/c16-13-11(7-9-3-1-5-21-9)14(20)17-15-19(13)18-12(23-15)8-10-4-2-6-22-10/h1-7,16H,8H2 |
| InChIK | MLLSLHKIBVYOGN-UHFFFAOYSA-N |
| TotalMolweight | 358.469 |
| Molweight | 358.469 |
| MonoisotopicMass | 358.001671 |
| CLogP | 1.7353 |
| CLogS | -2.991 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.16 |
| Relative PSA | 0.45704 |
| PolarSurfaceArea | 150.66 |
| Druglikeness | 5.7101 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6E)-5-imino-2-(thiophen-2-ylmethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-5-imino-2-(thiophen-2-ylmethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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