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

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Related Compounds

Ethyl 6-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxothiomorpholine-3-carboxylate
CID 581637
Dimethyl 3-[(3,4-dichloroanilino)carbonyl]-1,3-thiazolane-2,4-dicarboxylate
CID 3280147
Dimethyl 3-(anilinocarbonyl)-1,3-thiazolane-2,4-dicarboxylate
CID 3609290
2-(5-((4-Chlorophenyl)amino)-2,4-dioxothiazolidin-3-yl)acetic acid
CID 4891684
(2R)-2-acetamido-3-[(4-chlorophenyl)carbamoylsulfanyl]propanoic acid
CID 15838965
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687632
sodium (2S)-6-[(4-chlorophenyl)carbamoylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 44457805
Methyl 3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 16251868
1-(4-chlorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
CID 134793454
Methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate
CID 134793775
3-Carbethoxy-4-(4-chloro-2-fluorophenylaminocarbonyl)thiomorpholine
CID 23343397
(4-chlorophenyl)carbamoyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 91520862

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).