N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Basic information
- CAS
897759-68-1- Standard SMILES
Cc1ccc(C)c2sc(NC(=O)CN3C(=O)CCC3=O)nc12- InChIKey
IZENUXGYBNAYHH-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.08341252
Names & identifiers
- Preferred name
- N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
- IUPAC
- N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Names & synonyms
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide897759-68-1F1813-0844N-(4,7-dimethylbenzo[d]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamideMLS000419450CHEMBL1405556DTXSID001331862HMS2749K24SMSSF-0384685AKOS024610785SMR000320257SR-01000015889
Show more names
SR-01000015889-1N-(4,7-dimethyl-1,3-benzothiazol-2-yl)(2,5-dioxo-1-pyrrolidinyl)acetamide
Database identifiers
- CAS
897759-68-1- PubChem CID
- 7189599
- DTXSID
DTXSID001331862- ChEMBL
CHEMBL1405556
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
Solubility45.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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