2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
Basic information
- CAS
384795-95-3- Standard SMILES
Cc1nnc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)s1- InChIKey
YTEWAJRAZAWJGY-UHFFFAOYSA-N- Molecular formula
- C12H7N3O4S
- Average molar mass
- 289.27 g/mol
- Monoisotopic mass
- 289.01572689
Names & identifiers
- Preferred name
- 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
Names & synonyms
384795-95-32-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acidMFCD02031850Oprea1_295370Oprea1_566805C12H7N3O4SDTXSID00355608STK091036AKOS005394149SB65586
Show more names
CS-03324802-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxylic acid2-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLICACID
Database identifiers
- CAS
384795-95-3- PubChem CID
- 808740
- DTXSID
DTXSID00355608
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 472
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Related reactions
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Compound notes
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