2(1H)-Pyridinone, 4-((4,5-dihydro-2-thiazolyl)thio)-5-methyl-3-nitro-
Basic information
- CAS
172469-88-4- Standard SMILES
Cc1c[nH]c(=O)c([N+](=O)[O-])c1SC1=NCCS1- InChIKey
KBMYGTVRQXGYCZ-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3S2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.0085335
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((4,5-dihydro-2-thiazolyl)thio)-5-methyl-3-nitro-
- IUPAC
- 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
172469-88-42(1H)-Pyridinone, 4-((4,5-dihydro-2-thiazolyl)thio)-5-methyl-3-nitro-2(1H)-Pyridinone, 4-[(4,5-dihydro-2-thiazolyl)thio]-5-methyl-3-nitro-CHEMBL140898SCHEMBL8081511DTXSID801693014-(4,5-dihydrothiazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one4-[(4,5-Dihydro-1,3-thiazol-2-yl)sulfanyl]-5-methyl-3-nitropyridin-2(1H)-one
Database identifiers
- CAS
172469-88-4- PubChem CID
- 464590
- DTXSID
DTXSID80169301- ChEMBL
CHEMBL140898
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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