3-[5-[(2-Chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
Basic information
- CAS
433325-17-8- Standard SMILES
N=C1SCC(=O)N1c1ncc(Cc2ccccc2Cl)s1- InChIKey
NGMRMMAZVZRZBV-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3OS2
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 322.995382
Names & identifiers
- Preferred name
- 3-[5-[(2-Chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
- IUPAC
- 3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
Names & synonyms
3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one433325-17-8MLS000707890SMR0002889573-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one3-{5-[(2-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-2-IMINO-1,3-THIAZOLIDIN-4-ONECHEMBL1472570BDBM46960cid_3157014DTXSID501331900HMS2758E10STL111877
Show more names
AKOS000570876AP-845/414888173-(5-(2-chlorobenzyl)thiazol-2-yl)-2-iminothiazolidin-4-one3-[5-(2-chlorobenzyl)thiazol-2-yl]-2-imino-thiazolidin-4-one3-[5-[(2-chlorophenyl)methyl]-2-thiazolyl]-2-imino-4-thiazolidinone2-azanylidene-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
Database identifiers
- CAS
433325-17-8- PubChem CID
- 3157014
- DTXSID
DTXSID501331900- ChEMBL
CHEMBL1472570
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Solubility2.2 [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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