2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone

C13H15Cl2NOS — CID 815956

IUPAC2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)C(Cl)Cl)c(C)c1
InChIInChI=1S/C13H15Cl2NOS/c1-8-3-4-10(9(2)7-8)13-16(5-6-18-13)12(17)11(14)15/h3-4,7,11,13H,5-6H2,1-2H3/t13-/m1/s1
InChIKeyZTOGOUONCWMSNO-CYBMUJFWSA-N
MW304.24 g/mol
LogP3.68
Rot. Bonds2

About 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone

2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 815956) has the molecular formula C13H15Cl2NOS and a molecular weight of 304.24 g/mol. Its IUPAC name is 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID815956
Molecular FormulaC13H15Cl2NOS
Molecular Weight304.24 g/mol
Exact Mass303.03
IUPAC Name2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)C(Cl)Cl)c(C)c1
InChIInChI=1S/C13H15Cl2NOS/c1-8-3-4-10(9(2)7-8)13-16(5-6-18-13)12(17)11(14)15/h3-4,7,11,13H,5-6H2,1-2H3/t13-/m1/s1
InChIKeyZTOGOUONCWMSNO-CYBMUJFWSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 53.68
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-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111
(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 816020
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 4533715
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4079349
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4190131
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(4-methyl-3-nitrophenyl)methanone
CID 1024667
2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 816075
(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1025746
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 815956) is 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone is Cc1ccc([C@H]2SCCN2C(=O)C(Cl)Cl)c(C)c1.
What is the InChIKey of 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is ZTOGOUONCWMSNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15Cl2NOS/c1-8-3-4-10(9(2)7-8)13-16(5-6-18-13)12(17)11(14)15/h3-4,7,11,13H,5-6H2,1-2H3/t13-/m1/s1.
What are the key properties of 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone?
2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 304.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 815956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).