N-[(Z)-pyridin-4-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C16H15N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C16H15N5S |
| Smiles | C(CC1)Cc2c1sc1ncnc(N/N=C\c3ccncc3)c12 |
| InChI | InChI=1S/C16H15N5S/c1-2-4-13-12(3-1)14-15(18-10-19-16(14)22-13)21-20-9-11-5-7-17-8-6-11/h5-10H,1-4H2,(H,18,19,21) |
| InChIK | AHUAWJXTZOUXRM-UHFFFAOYSA-N |
| TotalMolweight | 309.396 |
| Molweight | 309.396 |
| MonoisotopicMass | 309.104815 |
| CLogP | 4.9026 |
| CLogS | -5.043 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.6 |
| Relative PSA | 0.32088 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | -1.3412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-pyridin-4-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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