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

C5H3BrF3NS — CID 15239219

IUPAC5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CBr)s1
InChIInChI=1S/C5H3BrF3NS/c6-1-3-2-10-4(11-3)5(7,8)9/h2H,1H2
InChIKeyKSZYJEJPFGNGQA-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.06
Rot. Bonds1

About 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole

5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 15239219) has the molecular formula C5H3BrF3NS and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID15239219
Molecular FormulaC5H3BrF3NS
Molecular Weight246.05 g/mol
Exact Mass244.91
IUPAC Name5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CBr)s1
InChIInChI=1S/C5H3BrF3NS/c6-1-3-2-10-4(11-3)5(7,8)9/h2H,1H2
InChIKeyKSZYJEJPFGNGQA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 15239219) is 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is KSZYJEJPFGNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NS/c6-1-3-2-10-4(11-3)5(7,8)9/h2H,1H2.
What are the key properties of 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(bromomethyl)-2-(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 5-(bromomethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 15239219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).