Basic information
- CAS
172469-95-3- Standard SMILES
Cc1cccc(Sc2c(C)c[nH]c(=O)c2N)c1- InChIKey
XGIPVPLZMWXFQB-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-amino-5-methyl-4-((3-methylphenyl)thio)-
- IUPAC
- 3-amino-5-methyl-4-(3-methylphenyl)sulfanyl-1H-pyridin-2-one
Names & synonyms
172469-95-32(1H)-Pyridinone, 3-amino-5-methyl-4-((3-methylphenyl)thio)-CHEMBL1400482(1H)-Pyridinone, 3-amino-5-methyl-4-[(3-methylphenyl)thio]-SCHEMBL7013452DTXSID00169308BDBM500296793-Amino-5-methyl-4-m-tolylsulfanyl-1H-pyridin-2-one3-amino-5-methyl-4-(m-tolylsulfanyl)-1H-pyridin-2-one3-Amino-5-methyl-4-[(3-methylphenyl)sulfanyl]pyridin-2(1H)-one
Database identifiers
- CAS
172469-95-3- PubChem CID
- 464583
- DTXSID
DTXSID00169308- ChEMBL
CHEMBL140048
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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