ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate

C13H16ClNO4S — CID 66561058

IUPACethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C13H16ClNO4S/c1-3-19-12(16)13(2)8-9-15(20(13,17)18)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyRCWOSZAOJYHSJO-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.20
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate

ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate (PubChem CID 66561058) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate
PubChem CID66561058
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Nameethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C13H16ClNO4S/c1-3-19-12(16)13(2)8-9-15(20(13,17)18)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyRCWOSZAOJYHSJO-UHFFFAOYSA-N
XLogP2.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
CID 14556276
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 3-(4-methoxyphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 71071819
ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
CID 126667889
diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
diethyl 3-acetyl-1-(4-chlorophenyl)-6-methyl-2,4-dihydropyridine-3,5-dicarboxylate
CID 53261126
ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
CID 136528260
ethyl 5-(4-chlorophenyl)-2,4-dimethyl-1-(4-sulfamoylphenyl)-3H-pyrrole-2-carboxylate
CID 172856892
ethyl 1-(benzylcarbamoyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 26409521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate (CID 66561058) is ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate is CCOC(=O)C1(C)CCN(c2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate?
The InChIKey is RCWOSZAOJYHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-3-19-12(16)13(2)8-9-15(20(13,17)18)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate?
ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate has a molecular weight of 317.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylate is sourced from PubChem (CID 66561058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).