2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H17FN2O3S — CID 63781948

IUPAC2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-7-9-4-3-5-10(15)6-9/h3-6,11-12H,2,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyJDKQVYLKTGRGSJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds4

About 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781948) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781948
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-7-9-4-3-5-10(15)6-9/h3-6,11-12H,2,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyJDKQVYLKTGRGSJ-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792230
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-[(2-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780135
2-ethyl-3-[(3-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779580
(3S,4S)-1-[(3-fluorophenyl)methylcarbamoyl]-4-propylpyrrolidine-3-carboxylic acid
CID 72889604
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
3-[(3-bromo-4-fluorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 104780153
2-ethyl-3-[(1-methylimidazol-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63776197
3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
3-[(2,5-difluorophenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63775639
2-ethyl-3-[2-(furan-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780051

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781948) is 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JDKQVYLKTGRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-2-12-17(11(8-21-12)13(18)19)14(20)16-7-9-4-3-5-10(15)6-9/h3-6,11-12H,2,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.27, 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-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).