2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid

C8H9FN2O2S — CID 68686523

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CC[C@H](F)C2)n1
InChIInChI=1S/C8H9FN2O2S/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m0/s1
InChIKeyJGZHRWLZTXPXBO-YFKPBYRVSA-N
MW216.24 g/mol
LogP1.39
Rot. Bonds2

About 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid

2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 68686523) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID68686523
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CC[C@H](F)C2)n1
InChIInChI=1S/C8H9FN2O2S/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m0/s1
InChIKeyJGZHRWLZTXPXBO-YFKPBYRVSA-N
XLogP1.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 68686523) is 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CC[C@H](F)C2)n1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JGZHRWLZTXPXBO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 68686523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).