3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
Formula:C8H15N7O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide is a drug-like molecule.
| MolName | 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide |
| MolecularFormula | C8H15N7O2S3 |
| Smiles | N/C(/CCSCc1csc(N=C(N)N)n1)=N\S(N)(=O)=O |
| InChI | InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) |
| InChIK | XUFQPHANEAPEMJ-UHFFFAOYSA-N |
| TotalMolweight | 337.452 |
| Molweight | 337.452 |
| MonoisotopicMass | 337.044933 |
| CLogP | -1.113 |
| CLogS | -3.557 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 235.33 |
| Relative PSA | 0.68627 |
| PolarSurfaceArea | 237.75 |
| Druglikeness | 1.156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide | 2 - 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
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