N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
Basic information
- CAS
894002-33-6- Standard SMILES
CCc1nnc(NC(=O)CSc2ccc(-c3cccnc3)nn2)s1- InChIKey
VIHINMHTNFGQHU-UHFFFAOYSA-N- Molecular formula
- C15H14N6OS2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.06705144
Names & identifiers
- Preferred name
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
- IUPAC
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
Names & synonyms
894002-33-6N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamideN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamideN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)acetamideMLS000678524CHEMBL1557775DTXSID801330456HMS2768L15AKOS024620278SMR000324007SR-01000019289SR-01000019289-1
Show more names
F2005-0200
Database identifiers
- CAS
894002-33-6- PubChem CID
- 7207416
- DTXSID
DTXSID801330456- ChEMBL
CHEMBL1557775
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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