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

C11H11FN2O3S — CID 24694173

IUPAC3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C11H11FN2O3S/c12-7-3-1-2-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)
InChIKeyUZCUSKAIQNNHPE-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.82
Rot. Bonds2

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

3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24694173) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID24694173
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C11H11FN2O3S/c12-7-3-1-2-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)
InChIKeyUZCUSKAIQNNHPE-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
2-((Phenylcarbamoyl)amino)propanoic acid
CID 3854733
Dimethyl 3-(anilinocarbonyl)-1,3-thiazolane-2,4-dicarboxylate
CID 3609290
(2R)-2-acetamido-3-[(4-fluorophenyl)carbamoylsulfanyl]propanoic acid
CID 53324468
N-[(2-fluorophenyl)carbamoyl]-L-alanine
CID 5389768
8-Phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 52943553
(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 86287731
(5-Anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
CID 2771083
3-[2-Cyano-2-(phenylcarbamoylamino)ethyl]sulfanyl-2-(trimethylazaniumyl)propanoate
CID 44386032
(2R)-2-acetamido-3-(phenylcarbamoylsulfanyl)propanoic acid
CID 53317396
(2R)-2-acetamido-3-[(2-fluorophenyl)carbamoylsulfanyl]propanoic acid
CID 53326547
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
CID 134794810

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 24694173) is 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UZCUSKAIQNNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c12-7-3-1-2-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16).
What are the key properties of 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24694173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).