2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone

C11H11Cl2NOS — CID 7326995

IUPAC2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CCl)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NOS/c12-7-10(15)14-4-5-16-11(14)8-2-1-3-9(13)6-8/h1-3,6,11H,4-5,7H2/t11-/m1/s1
InChIKeyDLDLKRCPJXWWAL-LLVKDONJSA-N
MW276.19 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7326995) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID7326995
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC Name2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CCl)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NOS/c12-7-10(15)14-4-5-16-11(14)8-2-1-3-9(13)6-8/h1-3,6,11H,4-5,7H2/t11-/m1/s1
InChIKeyDLDLKRCPJXWWAL-LLVKDONJSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
(2R)-1-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7237057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 7326995) is 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(CCl)N1CCS[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is DLDLKRCPJXWWAL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11Cl2NOS/c12-7-10(15)14-4-5-16-11(14)8-2-1-3-9(13)6-8/h1-3,6,11H,4-5,7H2/t11-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 276.19 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7326995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).