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

C6H6BrFN2S — CID 154635774

IUPAC5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole
SMILESFC1CN(c2ncc(Br)s2)C1
InChIInChI=1S/C6H6BrFN2S/c7-5-1-9-6(11-5)10-2-4(8)3-10/h1,4H,2-3H2
InChIKeyPIPYQPPGIKHSIS-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.06
Rot. Bonds1

About 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole

5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole (PubChem CID 154635774) has the molecular formula C6H6BrFN2S and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole
PubChem CID154635774
Molecular FormulaC6H6BrFN2S
Molecular Weight237.10 g/mol
Exact Mass235.94
IUPAC Name5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole
SMILESFC1CN(c2ncc(Br)s2)C1
InChIInChI=1S/C6H6BrFN2S/c7-5-1-9-6(11-5)10-2-4(8)3-10/h1,4H,2-3H2
InChIKeyPIPYQPPGIKHSIS-UHFFFAOYSA-N
XLogP2.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole 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 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole (CID 154635774) is 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole is FC1CN(c2ncc(Br)s2)C1.
What is the InChIKey of 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
The InChIKey is PIPYQPPGIKHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2S/c7-5-1-9-6(11-5)10-2-4(8)3-10/h1,4H,2-3H2.
What are the key properties of 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole?
5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole has a molecular weight of 237.10 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 154635774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).