Basic information
- CAS
752228-66-3- Standard SMILES
CSc1ncccc1C(=O)Nc1ncc(C)s1- InChIKey
LZPPLASYJCGYQD-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.03435433
Names & identifiers
- Preferred name
- 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
- IUPAC
- 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
Names & synonyms
752228-66-3N-(5-Methylthiazol-2-yl)-2-(methylthio)nicotinamideN-(5-methyl-1,3-thiazol-2-yl)-2-(methylsulfanyl)pyridine-3-carboxamidestarbld00076702-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamideMLS001174441CHEMBL1300789DTXSID501322921HMS2853N08AKOS034082177SMR000589408AB00725038-01
Show more names
EN300-26599847Z293255532-(methylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
Database identifiers
- CAS
752228-66-3- PubChem CID
- 2124758
- DTXSID
DTXSID501322921- ChEMBL
CHEMBL1300789
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Solubility5.7 [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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