2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole

C7H8F2N2S — CID 122269478

IUPAC2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N2S/c1-5-2-12-6(10-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3
InChIKeyAULBQUYAAMWBPL-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.91
Rot. Bonds1

About 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole

2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole (PubChem CID 122269478) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole
PubChem CID122269478
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N2S/c1-5-2-12-6(10-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3
InChIKeyAULBQUYAAMWBPL-UHFFFAOYSA-N
XLogP1.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole (CID 122269478) is 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole is Cc1csc(N2CC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is AULBQUYAAMWBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c1-5-2-12-6(10-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole?
2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 190.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 122269478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).