2-(7H-purin-6-yl)-4,5-dihydro-1,3-thiazole
Formula:C8H7N5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(7H-purin-6-yl)-4,5-dihydro-1,3-thiazole is a drug-like molecule.
| MolName | 2-(7H-purin-6-yl)-4,5-dihydro-1,3-thiazole |
| MolecularFormula | C8H7N5S |
| Smiles | C1N=C(c2ncnc3c2[nH]cn3)SC1 |
| InChI | InChI=1S/C8H7N5S/c1-2-14-8(9-1)6-5-7(12-3-10-5)13-4-11-6/h3-4H,1-2H2,(H,10,11,12,13) |
| InChIK | VJSDSWSCGJMBJL-UHFFFAOYSA-N |
| TotalMolweight | 205.245 |
| Molweight | 205.245 |
| MonoisotopicMass | 205.042215 |
| CLogP | 0.8264 |
| CLogS | -3.146 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 148.19 |
| Relative PSA | 0.51218 |
| PolarSurfaceArea | 92.12 |
| Druglikeness | 2.203 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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