N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C15H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C15H14N4OS |
| Smiles | C(CC1)Cc2c1sc1ncnc(N/N=C\c3ccco3)c12 |
| InChI | InChI=1S/C15H14N4OS/c1-2-6-12-11(5-1)13-14(16-9-17-15(13)21-12)19-18-8-10-4-3-7-20-10/h3-4,7-9H,1-2,5-6H2,(H,16,17,19) |
| InChIK | RZQBUENNABHIEU-UHFFFAOYSA-N |
| TotalMolweight | 298.369 |
| Molweight | 298.369 |
| MonoisotopicMass | 298.088831 |
| CLogP | 5.0922 |
| CLogS | -5.52 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.53 |
| Relative PSA | 0.34735 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | -1.7459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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