dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate

C14H16N2O5S — CID 3609290

IUPACdimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N2O5S/c1-20-12(17)10-8-22-11(13(18)21-2)16(10)14(19)15-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,19)
InChIKeySYAOHUUGNGMHNX-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.31
Rot. Bonds3

About dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate

dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 3609290) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID3609290
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Namedimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N2O5S/c1-20-12(17)10-8-22-11(13(18)21-2)16(10)14(19)15-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,19)
InChIKeySYAOHUUGNGMHNX-UHFFFAOYSA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate (CID 3609290) is dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)C1CSC(C(=O)OC)N1C(=O)Nc1ccccc1.
What is the InChIKey of dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is SYAOHUUGNGMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-20-12(17)10-8-22-11(13(18)21-2)16(10)14(19)15-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,19).
What are the key properties of dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 324.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(phenylcarbamoyl)-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 3609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).