5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
Basic information
- CAS
6630-60-0- Standard SMILES
NC1=NC(=O)C(CC(=O)c2ccc(Cl)cc2)S1- InChIKey
DHILMNYQMGWHOS-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2S
- Average molar mass
- 268.72 g/mol
- Monoisotopic mass
- 268.0073264
Names & identifiers
- Preferred name
- 5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
- IUPAC
- 2-amino-5-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazol-4-one
Names & synonyms
6630-60-0NSC60896NSC 608965-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one5-[2-(4-Chlorophenyl)-2-oxoethyl]-2-imino-1,3-thiazolidin-4-oneChemDiv2_002068NCIOpen2_002693MLS000585745CHEMBL1373277DHILMNYQMGWHOS-UHFFFAOYSA-NHMS1374N22HMS2537K06
Show more names
MFCD00694482NSC-60896AKOS001715663NCGC00245888-01SMR0002043085-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-2-imino-thiazolidin-4-one5-[2-(4-chlorophenyl)-2-oxo-ethyl]-2-imino-thiazolidin-4-one5-[2-(4-Chlorophenyl)-2-oxoethyl]-2-imino-1,3-thiazolidin-4-one #
Database identifiers
- CAS
6630-60-0- PubChem CID
- 247102
- ChEMBL
CHEMBL1373277
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
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Compound notes
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