4-bromo-2-(2-fluoroethoxy)-1,3-thiazole

C5H5BrFNOS — CID 118262359

IUPAC4-bromo-2-(2-fluoroethoxy)-1,3-thiazole
SMILESFCCOc1nc(Br)cs1
InChIInChI=1S/C5H5BrFNOS/c6-4-3-10-5(8-4)9-2-1-7/h3H,1-2H2
InChIKeyNHLZTPNOWJZFGY-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.25
Rot. Bonds3

About 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole

4-bromo-2-(2-fluoroethoxy)-1,3-thiazole (PubChem CID 118262359) has the molecular formula C5H5BrFNOS and a molecular weight of 226.07 g/mol. Its IUPAC name is 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-fluoroethoxy)-1,3-thiazole
PubChem CID118262359
Molecular FormulaC5H5BrFNOS
Molecular Weight226.07 g/mol
Exact Mass224.93
IUPAC Name4-bromo-2-(2-fluoroethoxy)-1,3-thiazole
SMILESFCCOc1nc(Br)cs1
InChIInChI=1S/C5H5BrFNOS/c6-4-3-10-5(8-4)9-2-1-7/h3H,1-2H2
InChIKeyNHLZTPNOWJZFGY-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 79399831
4-Bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 82004362
4-Bromo-2-(fluoromethyl)thiazole
CID 18761611
4-Fluoro-2-methoxy-1,3-thiazole
CID 68364879
4-Bromo-2-(4,4,4-trifluorobutoxy)-1,3-thiazole
CID 82789090
4-Bromo-2-(3,3,3-trifluoropropoxy)-1,3-thiazole
CID 82954875
4-Bromo-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 79400351
4-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722065
4-Bromo-2-(methoxy-d3)-thiazole
CID 45787506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole (CID 118262359) is 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole is FCCOc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole?
The InChIKey is NHLZTPNOWJZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFNOS/c6-4-3-10-5(8-4)9-2-1-7/h3H,1-2H2.
What are the key properties of 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole?
4-bromo-2-(2-fluoroethoxy)-1,3-thiazole has a molecular weight of 226.07 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-fluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 118262359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).