2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid

C11H13FN2O3S — CID 142802348

IUPAC2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCCN2C(=O)CCC2F)n1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-4-10(15)14(8)5-1-2-9-13-7(6-18-9)11(16)17/h6,8H,1-5H2,(H,16,17)
InChIKeyYLWNLNBURKGERF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid

2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 142802348) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid
PubChem CID142802348
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCCN2C(=O)CCC2F)n1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-4-10(15)14(8)5-1-2-9-13-7(6-18-9)11(16)17/h6,8H,1-5H2,(H,16,17)
InChIKeyYLWNLNBURKGERF-UHFFFAOYSA-N
XLogP1.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid (CID 142802348) is 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCCN2C(=O)CCC2F)n1.
What is the InChIKey of 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YLWNLNBURKGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-4-10(15)14(8)5-1-2-9-13-7(6-18-9)11(16)17/h6,8H,1-5H2,(H,16,17).
What are the key properties of 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid?
2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 142802348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).