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

C14H16FNO3S — CID 63792343

IUPAC2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H16FNO3S/c1-3-12-16(11(7-20-12)14(18)19)13(17)9-4-5-10(15)8(2)6-9/h4-6,11-12H,3,7H2,1-2H3,(H,18,19)
InChIKeyGURBOFMDHRDUIT-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.51
Rot. Bonds3

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

2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792343) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792343
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H16FNO3S/c1-3-12-16(11(7-20-12)14(18)19)13(17)9-4-5-10(15)8(2)6-9/h4-6,11-12H,3,7H2,1-2H3,(H,18,19)
InChIKeyGURBOFMDHRDUIT-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792343) is 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GURBOFMDHRDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-3-12-16(11(7-20-12)14(18)19)13(17)9-4-5-10(15)8(2)6-9/h4-6,11-12H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).