ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

C15H17ClN2O4S — CID 3799596

IUPACethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S/c1-2-22-14(21)7-17-12(19)8-18-13(20)9-23-15(18)10-3-5-11(16)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,17,19)
InChIKeyGWSLURLMXLTBLD-UHFFFAOYSA-N
MW356.83 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (PubChem CID 3799596) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
PubChem CID3799596
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Nameethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S/c1-2-22-14(21)7-17-12(19)8-18-13(20)9-23-15(18)10-3-5-11(16)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,17,19)
InChIKeyGWSLURLMXLTBLD-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2Z)-2-[3-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695332
Methyl 7-(4-chlorobenzyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663601
2-(4-Chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
CID 24001542
Ethyl 3-glycyl-2-phenyl-1,3-thiazolidine-4-carboxylate--hydrogen bromide (1/1)
CID 3065228
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687704
2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3-methyl-butylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-morpholin-4-yl-propyl)-acetamide
CID 44288791
2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3,3-dimethyl-butylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-morpholin-4-yl-propyl)-acetamide
CID 44289116
(2R)-2-acetamido-3-[(4-chlorophenyl)methylcarbamoylsulfanyl]propanoic acid
CID 53321317
2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
CID 24712213
Ethyl 2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
CID 48438829
tert-butyl (2R,4R)-2-(2-chloro-6-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylate
CID 53840081
tert-butyl (2R,4R)-3-(2-aminoacetyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 53996742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (CID 3799596) is ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The InChIKey is GWSLURLMXLTBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-2-22-14(21)7-17-12(19)8-18-13(20)9-23-15(18)10-3-5-11(16)6-4-10/h3-6,15H,2,7-9H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate has a molecular weight of 356.83 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 3799596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).