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

C9H16N2O3S — CID 63792402

IUPAC2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-3-7-11(9(14)10-4-2)6(5-15-7)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWSEQZNZFEVXFFB-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.95
Rot. Bonds3

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

2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792402) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792402
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-3-7-11(9(14)10-4-2)6(5-15-7)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWSEQZNZFEVXFFB-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63773946
2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63782148
3-[3-(dimethylamino)propylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781580
2-ethyl-3-[(1-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63829278
3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781453
2-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107419835
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
3-(cyclohex-3-en-1-ylmethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781372
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413
2-ethyl-3-[(1-methylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64687275
2-ethyl-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779576

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792402) is 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCNC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WSEQZNZFEVXFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-7-11(9(14)10-4-2)6(5-15-7)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).