N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Basic information
- CAS
57352-49-5- Standard SMILES
CCCc1nnc(NC(=O)c2cccnc2)s1- InChIKey
GHIXIJNAUIAIHJ-UHFFFAOYSA-N- Molecular formula
- C11H12N4OS
- Average molar mass
- 248.31 g/mol
- Monoisotopic mass
- 248.07318219
Names & identifiers
- Preferred name
- N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
- IUPAC
- N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Names & synonyms
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide57352-49-5Cambridge id 6723341MLS001030085CHEMBL1703785DTXSID601330474HMS2782C08STK847121STL089835AKOS002260269AKOS005627327SMR000427482
Show more names
ST50752223AB00117399-01N-(5-propyl-1,3,4-thiadiazol-2-yl)nicotinamideSR-01000241995N-(5-Propyl-[1,3,4]thiadiazol-2-yl)-nicotinamideSR-01000241995-1Z52425543N-(5-propyl(1,3,4-thiadiazol-2-yl))-3-pyridylcarboxamide
Database identifiers
- CAS
57352-49-5- PubChem CID
- 807237
- DTXSID
DTXSID601330474- ChEMBL
CHEMBL1703785
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Solubility36.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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