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

C4HBrF3NS — CID 15122066

IUPAC4-bromo-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(Br)cs1
InChIInChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyJWIFAKPFCFVBQD-UHFFFAOYSA-N
MW232.02 g/mol
LogP2.92
Rot. Bonds

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

4-bromo-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 15122066) has the molecular formula C4HBrF3NS and a molecular weight of 232.02 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)-1,3-thiazole
PubChem CID15122066
Molecular FormulaC4HBrF3NS
Molecular Weight232.02 g/mol
Exact Mass230.90
IUPAC Name4-bromo-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(Br)cs1
InChIInChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyJWIFAKPFCFVBQD-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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Related Compounds

2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020
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-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578
4-Bromo-2-(bromomethyl)-1,3-thiazole hydrobromide
CID 155977847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(trifluoromethyl)-1,3-thiazole (CID 15122066) is 4-bromo-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JWIFAKPFCFVBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H.
What are the key properties of 4-bromo-2-(trifluoromethyl)-1,3-thiazole?
4-bromo-2-(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 4-bromo-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 15122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).