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

C4HBrF3NS — CID 23149887

IUPAC2-bromo-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Br)n1
InChIInChI=1S/C4HBrF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChIKeyNZNVGMVYUYNBOM-UHFFFAOYSA-N
MW232.02 g/mol
LogP2.92
Rot. Bonds

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

2-bromo-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 23149887) has the molecular formula C4HBrF3NS and a molecular weight of 232.02 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)-1,3-thiazole
PubChem CID23149887
Molecular FormulaC4HBrF3NS
Molecular Weight232.02 g/mol
Exact Mass230.90
IUPAC Name2-bromo-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Br)n1
InChIInChI=1S/C4HBrF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChIKeyNZNVGMVYUYNBOM-UHFFFAOYSA-N
XLogP2.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(trifluoromethyl)-1,3-thiazole (CID 23149887) is 2-bromo-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(Br)n1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NZNVGMVYUYNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H.
What are the key properties of 2-bromo-4-(trifluoromethyl)-1,3-thiazole?
2-bromo-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 232.02 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 23149887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).