N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
Basic information
- CAS
852033-76-2- Standard SMILES
COc1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1Cl- InChIKey
JUSGNAICXFOQHP-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O3S
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.0757403
Names & identifiers
- Preferred name
- N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
- IUPAC
- N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
Names & synonyms
N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamideMLS002252703CHEMBL2140865DTXSID401331995HMS3057I05AKOS001298910852033-76-2SMR001315040AB00731550-01Z85930378N-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamide
Database identifiers
- CAS
852033-76-2- PubChem CID
- 4885147
- DTXSID
DTXSID401331995- ChEMBL
CHEMBL2140865
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Experimental & physicochemical properties
Solubility6.8 [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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