2-(3-fluoroazetidin-1-yl)-1,3-thiazole

C6H7FN2S — CID 175907303

IUPAC2-(3-fluoroazetidin-1-yl)-1,3-thiazole
SMILESFC1CN(c2nccs2)C1
InChIInChI=1S/C6H7FN2S/c7-5-3-9(4-5)6-8-1-2-10-6/h1-2,5H,3-4H2
InChIKeyXZLDJNNGPPMFSD-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds1

About 2-(3-fluoroazetidin-1-yl)-1,3-thiazole

2-(3-fluoroazetidin-1-yl)-1,3-thiazole (PubChem CID 175907303) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)-1,3-thiazole
PubChem CID175907303
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name2-(3-fluoroazetidin-1-yl)-1,3-thiazole
SMILESFC1CN(c2nccs2)C1
InChIInChI=1S/C6H7FN2S/c7-5-3-9(4-5)6-8-1-2-10-6/h1-2,5H,3-4H2
InChIKeyXZLDJNNGPPMFSD-UHFFFAOYSA-N
XLogP1.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)-1,3-thiazole (CID 175907303) is 2-(3-fluoroazetidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)-1,3-thiazole is FC1CN(c2nccs2)C1.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The InChIKey is XZLDJNNGPPMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c7-5-3-9(4-5)6-8-1-2-10-6/h1-2,5H,3-4H2.
What are the key properties of 2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
2-(3-fluoroazetidin-1-yl)-1,3-thiazole has a molecular weight of 158.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 175907303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).