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

C11H10F2N2O3S — CID 43288492

IUPAC3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O3S/c12-6-1-2-8(7(13)3-6)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyHKBCOJGUEAXTTF-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.96
Rot. Bonds2

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

3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43288492) has the molecular formula C11H10F2N2O3S and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43288492
Molecular FormulaC11H10F2N2O3S
Molecular Weight288.27 g/mol
Exact Mass288.04
IUPAC Name3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O3S/c12-6-1-2-8(7(13)3-6)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyHKBCOJGUEAXTTF-UHFFFAOYSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43288492) is 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HKBCOJGUEAXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3S/c12-6-1-2-8(7(13)3-6)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43288492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).