2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide

C13H14Cl2N2O2S — CID 24712213

IUPAC2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2S/c1-2-16-11(18)6-17-12(19)7-20-13(17)8-3-4-9(14)10(15)5-8/h3-5,13H,2,6-7H2,1H3,(H,16,18)
InChIKeySIVYIQXSEAAHKS-UHFFFAOYSA-N
MW333.24 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide

2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide (PubChem CID 24712213) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
PubChem CID24712213
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2S/c1-2-16-11(18)6-17-12(19)7-20-13(17)8-3-4-9(14)10(15)5-8/h3-5,13H,2,6-7H2,1H3,(H,16,18)
InChIKeySIVYIQXSEAAHKS-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
2-(3-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2840110
N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25161525
(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67458133
3-(3,5-Dichlorophenyl)-2,4-thiazolidinedione
CID 60156258
2-{[(2-Chlorophenyl)methyl]sulfanyl}-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3567689
N-(3,4-Dichloro-benzyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 6493557
2-[2-(2,6-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-octadecylacetamide
CID 11478495
Acetamide, N-(1-(3,4-dichlorophenyl)propyl)-2-(diethylamino)-
CID 3039074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide (CID 24712213) is 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide is CCNC(=O)CN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide?
The InChIKey is SIVYIQXSEAAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c1-2-16-11(18)6-17-12(19)7-20-13(17)8-3-4-9(14)10(15)5-8/h3-5,13H,2,6-7H2,1H3,(H,16,18).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide?
2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide has a molecular weight of 333.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 24712213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).