2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H14N2O3S2 — CID 66353555

IUPAC2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1ccsc1
InChIInChI=1S/C11H14N2O3S2/c1-2-9-13(8(6-18-9)10(14)15)11(16)12-7-3-4-17-5-7/h3-5,8-9H,2,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyMTNXUMLNCMYMDG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds3

About 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66353555) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66353555
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)Nc1ccsc1
InChIInChI=1S/C11H14N2O3S2/c1-2-9-13(8(6-18-9)10(14)15)11(16)12-7-3-4-17-5-7/h3-5,8-9H,2,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyMTNXUMLNCMYMDG-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 66353555) is 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)Nc1ccsc1.
What is the InChIKey of 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MTNXUMLNCMYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-2-9-13(8(6-18-9)10(14)15)11(16)12-7-3-4-17-5-7/h3-5,8-9H,2,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66353555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).