(2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
Basic information
- CAS
92537-81-0- Standard SMILES
Cc1[nH]n(-c2nc3ccc(F)cc3s2)c(=O)c1CC(=O)O- InChIKey
JEHWHNZLZBGCDY-UHFFFAOYSA-N- Molecular formula
- C13H10FN3O3S
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.04269053
Names & identifiers
- Preferred name
- (2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
- IUPAC
- 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
Names & synonyms
DTXSID70919115(2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid[2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acidRefChem:1049641DTXCID801348051BRN 45503831-(6-Fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid92537-81-01H-Pyrazole-4-acetic acid, 1-(6-fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-2-(4'-Carboxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole
Database identifiers
- CAS
92537-81-0- PubChem CID
- 3021995
- DTXSID
DTXSID70919115
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 513
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Compound notes
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