5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

C5H3BrF3NOS — CID 146421536

IUPAC5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1ncc(Br)s1
InChIInChI=1S/C5H3BrF3NOS/c6-3-1-10-4(12-3)11-2-5(7,8)9/h1H,2H2
InChIKeyJXDMUPRVVMTDFH-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 146421536) has the molecular formula C5H3BrF3NOS and a molecular weight of 262.05 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID146421536
Molecular FormulaC5H3BrF3NOS
Molecular Weight262.05 g/mol
Exact Mass260.91
IUPAC Name5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1ncc(Br)s1
InChIInChI=1S/C5H3BrF3NOS/c6-3-1-10-4(12-3)11-2-5(7,8)9/h1H,2H2
InChIKeyJXDMUPRVVMTDFH-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 146421536) is 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is FC(F)(F)COc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is JXDMUPRVVMTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NOS/c6-3-1-10-4(12-3)11-2-5(7,8)9/h1H,2H2.
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 262.05 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 146421536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).