3-bromo-5-fluoro-1,2-thiazole

C3HBrFNS — CID 146392772

IUPAC3-bromo-5-fluoro-1,2-thiazole
SMILESFc1cc(Br)ns1
InChIInChI=1S/C3HBrFNS/c4-2-1-3(5)7-6-2/h1H
InChIKeyNRAUOVFYWAZYNH-UHFFFAOYSA-N
MW182.02 g/mol
LogP2.04
Rot. Bonds

About 3-bromo-5-fluoro-1,2-thiazole

3-bromo-5-fluoro-1,2-thiazole (PubChem CID 146392772) has the molecular formula C3HBrFNS and a molecular weight of 182.02 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1,2-thiazole.

Molecular Properties

Compound Name3-bromo-5-fluoro-1,2-thiazole
PubChem CID146392772
Molecular FormulaC3HBrFNS
Molecular Weight182.02 g/mol
Exact Mass180.90
IUPAC Name3-bromo-5-fluoro-1,2-thiazole
SMILESFc1cc(Br)ns1
InChIInChI=1S/C3HBrFNS/c4-2-1-3(5)7-6-2/h1H
InChIKeyNRAUOVFYWAZYNH-UHFFFAOYSA-N
XLogP2.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1,2-thiazole?
The IUPAC name of 3-bromo-5-fluoro-1,2-thiazole (CID 146392772) is 3-bromo-5-fluoro-1,2-thiazole.
What is the SMILES notation for 3-bromo-5-fluoro-1,2-thiazole?
The canonical SMILES for 3-bromo-5-fluoro-1,2-thiazole is Fc1cc(Br)ns1.
What is the InChIKey of 3-bromo-5-fluoro-1,2-thiazole?
The InChIKey is NRAUOVFYWAZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrFNS/c4-2-1-3(5)7-6-2/h1H.
What are the key properties of 3-bromo-5-fluoro-1,2-thiazole?
3-bromo-5-fluoro-1,2-thiazole has a molecular weight of 182.02 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1,2-thiazole is sourced from PubChem (CID 146392772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).