[(Z)-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methylideneamino]urea
Formula:C14H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methylideneamino]urea |
| MolecularFormula | C14H13N5OS |
| Smiles | NC(N/N=C\c1cc(Cn2c(cccc3)c3nc2)cs1)=O |
| InChI | InChI=1S/C14H13N5OS/c15-14(20)18-17-6-11-5-10(8-21-11)7-19-9-16-12-3-1-2-4-13(12)19/h1-6,8-9H,7H2,(H3,15,18,20) |
| InChIK | OZVGVPTWGBPKGN-UHFFFAOYSA-N |
| TotalMolweight | 299.357 |
| Molweight | 299.357 |
| MonoisotopicMass | 299.08408 |
| CLogP | 2.0918 |
| CLogS | -3.488 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 227.77 |
| Relative PSA | 0.39285 |
| PolarSurfaceArea | 113.54 |
| Druglikeness | 7.5932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methylideneamino]urea | 2 - [(Z)-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off