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

C5H3BrF3NS — CID 67357137

IUPAC2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CBr)n1
InChIInChI=1S/C5H3BrF3NS/c6-1-4-10-3(2-11-4)5(7,8)9/h2H,1H2
InChIKeyFTAQKCNVIXDZFC-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.06
Rot. Bonds1

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

2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 67357137) has the molecular formula C5H3BrF3NS and a molecular weight of 246.05 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID67357137
Molecular FormulaC5H3BrF3NS
Molecular Weight246.05 g/mol
Exact Mass244.91
IUPAC Name2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CBr)n1
InChIInChI=1S/C5H3BrF3NS/c6-1-4-10-3(2-11-4)5(7,8)9/h2H,1H2
InChIKeyFTAQKCNVIXDZFC-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 166088216
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 171704149
4-bromo-2-(bromomethyl)-1,3-thiazole
CID 59591444
N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 71984699
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butan-2-amine
CID 115725167
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
CID 133403744
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
1-(3,5-dimethylphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111815272
N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
CID 133483771
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 67357137) is 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FTAQKCNVIXDZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NS/c6-1-4-10-3(2-11-4)5(7,8)9/h2H,1H2.
What are the key properties of 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 246.05 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 67357137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).