2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid

C8H8F2N2O2S — CID 90163461

IUPAC2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2CC(F)(F)C2)n1
InChIInChI=1S/C8H8F2N2O2S/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14/h2H,1,3-4H2,(H,13,14)
InChIKeyAXIYJOAYRLZTEW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.23
Rot. Bonds3

About 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 90163461) has the molecular formula C8H8F2N2O2S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID90163461
Molecular FormulaC8H8F2N2O2S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N2CC(F)(F)C2)n1
InChIInChI=1S/C8H8F2N2O2S/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14/h2H,1,3-4H2,(H,13,14)
InChIKeyAXIYJOAYRLZTEW-UHFFFAOYSA-N
XLogP1.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic 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-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 90163461) is 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(N2CC(F)(F)C2)n1.
What is the InChIKey of 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AXIYJOAYRLZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2S/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14/h2H,1,3-4H2,(H,13,14).
What are the key properties of 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 234.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 90163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).