1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C9H10F2N2OS — CID 146558764

IUPAC1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CC(F)(F)C2)nc1C
InChIInChI=1S/C9H10F2N2OS/c1-5-7(6(2)14)15-8(12-5)13-3-9(10,11)4-13/h3-4H2,1-2H3
InChIKeyOHOARKFTNZESSN-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.11
Rot. Bonds2

About 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 146558764) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID146558764
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC Name1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CC(F)(F)C2)nc1C
InChIInChI=1S/C9H10F2N2OS/c1-5-7(6(2)14)15-8(12-5)13-3-9(10,11)4-13/h3-4H2,1-2H3
InChIKeyOHOARKFTNZESSN-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone 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 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 146558764) is 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CC(F)(F)C2)nc1C.
What is the InChIKey of 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is OHOARKFTNZESSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c1-5-7(6(2)14)15-8(12-5)13-3-9(10,11)4-13/h3-4H2,1-2H3.
What are the key properties of 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 232.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 146558764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).