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

C17H15Cl2NO2S — CID 5077564

IUPAC1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2NO2S/c18-14-8-4-7-13(16(14)19)17-20(9-10-23-17)15(21)11-22-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyCLZDNHGYFHPSKW-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.65
Rot. Bonds4

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

1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (PubChem CID 5077564) has the molecular formula C17H15Cl2NO2S and a molecular weight of 368.29 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
PubChem CID5077564
Molecular FormulaC17H15Cl2NO2S
Molecular Weight368.29 g/mol
Exact Mass367.02
IUPAC Name1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2NO2S/c18-14-8-4-7-13(16(14)19)17-20(9-10-23-17)15(21)11-22-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyCLZDNHGYFHPSKW-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 5211610
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086898
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (CID 5077564) is 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The InChIKey is CLZDNHGYFHPSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2S/c18-14-8-4-7-13(16(14)19)17-20(9-10-23-17)15(21)11-22-12-5-2-1-3-6-12/h1-8,17H,9-11H2.
What are the key properties of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone has a molecular weight of 368.29 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is sourced from PubChem (CID 5077564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).