ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

C14H16Cl2N2O3S — CID 7225270

IUPACethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3S/c1-2-21-12(19)8-17-14(20)18-5-6-22-13(18)10-4-3-9(15)7-11(10)16/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyJUJIDQDSCCLORQ-ZDUSSCGKSA-N
MW363.27 g/mol
LogP3.31
Rot. Bonds4

About ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (PubChem CID 7225270) has the molecular formula C14H16Cl2N2O3S and a molecular weight of 363.27 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
PubChem CID7225270
Molecular FormulaC14H16Cl2N2O3S
Molecular Weight363.27 g/mol
Exact Mass362.03
IUPAC Nameethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3S/c1-2-21-12(19)8-17-14(20)18-5-6-22-13(18)10-4-3-9(15)7-11(10)16/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyJUJIDQDSCCLORQ-ZDUSSCGKSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687704
Ethyl 2-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}acetate
CID 50746901
Ethyl 2-{[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino}acetate
CID 50747158
Ethyl 2-[[2-(2-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 4414070
Methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 139219614
Ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 4142171
Ethyl 2-[[2-[2-(3-chloro-4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 4353752
Ethyl 2-[[2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 5176591
ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7418906
ethyl 2-[[(2R)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7418907
ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7419309
ethyl 2-[[(2R)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7419310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (CID 7225270) is ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The InChIKey is JUJIDQDSCCLORQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3S/c1-2-21-12(19)8-17-14(20)18-5-6-22-13(18)10-4-3-9(15)7-11(10)16/h3-4,7,13H,2,5-6,8H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate has a molecular weight of 363.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 7225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).