N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C19H18N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C19H18N4S |
| Smiles | C(CC1)Cc2c1sc1ncnc(N/N=C\C=C\c3ccccc3)c12 |
| InChI | InChI=1S/C19H18N4S/c1-2-7-14(8-3-1)9-6-12-22-23-18-17-15-10-4-5-11-16(15)24-19(17)21-13-20-18/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21,23) |
| InChIK | DMWRUJGHCMRKEV-UHFFFAOYSA-N |
| TotalMolweight | 334.446 |
| Molweight | 334.446 |
| MonoisotopicMass | 334.125216 |
| CLogP | 5.9218 |
| CLogS | -6.13 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.34 |
| Relative PSA | 0.24599 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -1.3599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-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