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

C10H15F3N2O3S — CID 63773946

IUPAC2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S/c1-2-7-15(6(5-19-7)8(16)17)9(18)14-4-3-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDRPRMLUYSERPH-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.89
Rot. Bonds4

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

2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63773946) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63773946
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC Name2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S/c1-2-7-15(6(5-19-7)8(16)17)9(18)14-4-3-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDRPRMLUYSERPH-UHFFFAOYSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781453
3-[3-(dimethylamino)propylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781580
2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63782148
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
2-ethyl-3-[(1-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63829278
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107419835
2-ethyl-3-[2-(furan-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780051
2-ethyl-3-(morpholin-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 83020424
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63773946) is 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UDRPRMLUYSERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c1-2-7-15(6(5-19-7)8(16)17)9(18)14-4-3-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63773946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).