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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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).