dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate

C14H15ClN2O5S — CID 3796378

IUPACdimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20)
InChIKeyFYJXOMLVELCADQ-UHFFFAOYSA-N
MW358.80 g/mol
LogP1.96
Rot. Bonds3

About dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate

dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 3796378) has the molecular formula C14H15ClN2O5S and a molecular weight of 358.80 g/mol. Its IUPAC name is dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID3796378
Molecular FormulaC14H15ClN2O5S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Namedimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20)
InChIKeyFYJXOMLVELCADQ-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate (CID 3796378) is dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is FYJXOMLVELCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S/c1-21-12(18)10-7-23-11(13(19)22-2)17(10)14(20)16-9-5-3-8(15)4-6-9/h3-6,10-11H,7H2,1-2H3,(H,16,20).
What are the key properties of dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 358.80 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 3796378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).