Basic information
- CAS
172469-92-0- Standard SMILES
Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2N)c1- InChIKey
JCLVNNAIQWKDAV-UHFFFAOYSA-N- Molecular formula
- C14H16N2OS
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.09833431
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-amino-4-((3,5-dimethylphenyl)thio)-5-methyl-
- IUPAC
- 3-amino-4-(3,5-dimethylphenyl)sulfanyl-5-methyl-1H-pyridin-2-one
Names & synonyms
172469-92-02(1H)-Pyridinone, 3-amino-4-((3,5-dimethylphenyl)thio)-5-methyl-CHEMBL1405322(1H)-Pyridinone, 3-amino-4-[(3,5-dimethylphenyl)thio]-5-methyl-SCHEMBL7007761DTXSID20169305JCLVNNAIQWKDAV-UHFFFAOYSA-N3-amino-4-(3,5-dimethylphenyl)sulfanyl-5-methyl-1H-pyridin-2-oneBDBM500296603-Amino-4-(3,5-dimethyl-phenylsulfanyl)-5-methyl-1H-pyridin-2-one3-Amino-4-[(3,5-dimethylphenyl)sulfanyl]-5-methylpyridin-2(1H)-one3-amino-5-methyl-4-(3', 5'-dimethylphenyl) thio-pyridin-2(1H)-one
Database identifiers
- CAS
172469-92-0- PubChem CID
- 464580
- DTXSID
DTXSID20169305- ChEMBL
CHEMBL140532
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 404
Related reactions
3 records
Compound notes
Loading…