N-[(Z)-(3-iodophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C17H15N4IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C17H15N4IS |
| Smiles | Ic1cc(/C=N\Nc2ncnc3c2c(CCCC2)c2s3)ccc1 |
| InChI | InChI=1S/C17H15IN4S/c18-12-5-3-4-11(8-12)9-21-22-16-15-13-6-1-2-7-14(13)23-17(15)20-10-19-16/h3-5,8-10H,1-2,6-7H2,(H,19,20,22) |
| InChIK | KNTNGFAGMQZNBA-UHFFFAOYSA-N |
| TotalMolweight | 434.3 |
| Molweight | 434.3 |
| MonoisotopicMass | 434.006214 |
| CLogP | 6.3406 |
| CLogS | -6.854 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.12 |
| Relative PSA | 0.24619 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -0.88236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-iodophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-(3-iodophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off