1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone

C12H13Cl2NO2S — CID 4127667

IUPAC1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2S/c1-17-7-11(16)15-4-5-18-12(15)9-3-2-8(13)6-10(9)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyCYESQFUVKKTYOP-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.21
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone (PubChem CID 4127667) has the molecular formula C12H13Cl2NO2S and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
PubChem CID4127667
Molecular FormulaC12H13Cl2NO2S
Molecular Weight306.21 g/mol
Exact Mass305.00
IUPAC Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2S/c1-17-7-11(16)15-4-5-18-12(15)9-3-2-8(13)6-10(9)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyCYESQFUVKKTYOP-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331128
(3S)-1-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 7396917
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7264912
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone (CID 4127667) is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone is COCC(=O)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone?
The InChIKey is CYESQFUVKKTYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2S/c1-17-7-11(16)15-4-5-18-12(15)9-3-2-8(13)6-10(9)14/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone?
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone has a molecular weight of 306.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone is sourced from PubChem (CID 4127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).