2(1H)-Pyridinone, 3-amino-4-(2-benzoxazolylthio)-5-methyl-
Basic information
- CAS
172469-97-5- Standard SMILES
Cc1c[nH]c(=O)c(N)c1Sc1nc2ccccc2o1- InChIKey
RXZBCMFQHKTVPW-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.05719778
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-amino-4-(2-benzoxazolylthio)-5-methyl-
- IUPAC
- 3-amino-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-1H-pyridin-2-one
Names & synonyms
2(1H)-Pyridinone, 3-amino-4-(2-benzoxazolylthio)-5-methyl-172469-97-53-Amino-5-methyl-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one3-Amino-5-methyl-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-oneCHEMBL143442SCHEMBL8072157DTXSID701693103-amino-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-1H-pyridin-2-one3-NH-2-Pyridinone, 4-BzOxazol-SH deriv.3-Amino-4-[(1,3-benzoxazol-2-yl)sulfanyl]-5-methylpyridin-2(1H)-one
Database identifiers
- CAS
172469-97-5- PubChem CID
- 464593
- DTXSID
DTXSID70169310- ChEMBL
CHEMBL143442- Nikkaji
- J713.231J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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