2-amino-N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]benzamide
Formula:C15H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]benzamide |
| MolecularFormula | C15H13N5OS |
| Smiles | N/C(/NC(c(cccc1)c1N)=O)=N/c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C15H13N5OS/c16-10-6-2-1-5-9(10)13(21)19-14(17)20-15-18-11-7-3-4-8-12(11)22-15/h1-8H,16H2,(H3,17,18,19,20,21) |
| InChIK | UPUPENJGTIBIJD-UHFFFAOYSA-N |
| TotalMolweight | 311.368 |
| Molweight | 311.368 |
| MonoisotopicMass | 311.08408 |
| CLogP | 2.0982 |
| CLogS | -4.427 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 231.54 |
| Relative PSA | 0.42273 |
| PolarSurfaceArea | 134.63 |
| Druglikeness | 1.5577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]benzamide | 2 - 2-amino-N-[(Z)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]benzamide
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