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

C8H10BrFN2S — CID 127001257

IUPAC5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1ncc(Br)s1)N1CC(F)C1
InChIInChI=1S/C8H10BrFN2S/c1-5(12-3-6(10)4-12)8-11-2-7(9)13-8/h2,5-6H,3-4H2,1H3
InChIKeyOYAGIFKSUZLVDA-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.62
Rot. Bonds2

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

5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole (PubChem CID 127001257) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole
PubChem CID127001257
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1ncc(Br)s1)N1CC(F)C1
InChIInChI=1S/C8H10BrFN2S/c1-5(12-3-6(10)4-12)8-11-2-7(9)13-8/h2,5-6H,3-4H2,1H3
InChIKeyOYAGIFKSUZLVDA-UHFFFAOYSA-N
XLogP2.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-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-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole (CID 127001257) is 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole is CC(c1ncc(Br)s1)N1CC(F)C1.
What is the InChIKey of 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is OYAGIFKSUZLVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c1-5(12-3-6(10)4-12)8-11-2-7(9)13-8/h2,5-6H,3-4H2,1H3.
What are the key properties of 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole?
5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 265.15 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 127001257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).