5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C14H9N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | 5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C14H9N5OS |
| Smiles | NC(N1N=CSC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O |
| InChI | InChI=1S/C14H9N5OS/c15-12-10(13(20)18-14-19(12)17-7-21-14)5-8-6-16-11-4-2-1-3-9(8)11/h1-7H,15H2 |
| InChIK | GBOUCWVETUXISQ-UHFFFAOYSA-N |
| TotalMolweight | 295.325 |
| Molweight | 295.325 |
| MonoisotopicMass | 295.05278 |
| CLogP | 0.8264 |
| CLogS | -4.04 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 206.94 |
| Relative PSA | 0.40533 |
| PolarSurfaceArea | 108.71 |
| Druglikeness | 4.8263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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