2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H12INO3S2 — CID 79685551

IUPAC2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1csc(I)c1
InChIInChI=1S/C11H12INO3S2/c1-2-9-13(7(5-18-9)11(15)16)10(14)6-3-8(12)17-4-6/h3-4,7,9H,2,5H2,1H3,(H,15,16)
InChIKeyRCFLOKAPBJBFAY-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.73
Rot. Bonds3

About 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79685551) has the molecular formula C11H12INO3S2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID79685551
Molecular FormulaC11H12INO3S2
Molecular Weight397.26 g/mol
Exact Mass396.93
IUPAC Name2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1csc(I)c1
InChIInChI=1S/C11H12INO3S2/c1-2-9-13(7(5-18-9)11(15)16)10(14)6-3-8(12)17-4-6/h3-4,7,9H,2,5H2,1H3,(H,15,16)
InChIKeyRCFLOKAPBJBFAY-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-(5-nitrothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790786
3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
3-(3,5-dimethylbenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792348
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63793079
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
2-ethyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792553
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
(2R,4R)-2-ethyl-3-(2-sulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 133064143
3-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 66388983
2-ethyl-3-prop-2-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 63791814
2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103510557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 79685551) is 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1csc(I)c1.
What is the InChIKey of 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RCFLOKAPBJBFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3S2/c1-2-9-13(7(5-18-9)11(15)16)10(14)6-3-8(12)17-4-6/h3-4,7,9H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 397.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79685551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).