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

C6H5BrF3NOS — CID 166087800

IUPAC2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1cnc(CBr)s1
InChIInChI=1S/C6H5BrF3NOS/c7-1-4-11-2-5(13-4)12-3-6(8,9)10/h2H,1,3H2
InChIKeyRZAYDJHGZDPQCE-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.98
Rot. Bonds3

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

2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 166087800) has the molecular formula C6H5BrF3NOS and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID166087800
Molecular FormulaC6H5BrF3NOS
Molecular Weight276.08 g/mol
Exact Mass274.92
IUPAC Name2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1cnc(CBr)s1
InChIInChI=1S/C6H5BrF3NOS/c7-1-4-11-2-5(13-4)12-3-6(8,9)10/h2H,1,3H2
InChIKeyRZAYDJHGZDPQCE-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-2-methylthiazole
CID 61976
5-Ethoxythiazole
CID 568152
5-(2,2,2-Trifluoroethoxy)-1,3-thiazole
CID 156409572
5-Ethoxy-2,3-dimethyl-1,3-thiazol-3-ium iodide
CID 24190102
5-Ethoxy-2-methyl-1,3-thiazole
CID 15363738
5-Ethoxy-2-(trifluoromethyl)-1,3-thiazole
CID 118164811
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
5-(Difluoromethoxy)-1,3-thiazole
CID 154460414
5-Bromo-2-(difluoromethoxymethyl)-1,3-thiazole
CID 154635788
2-Bromo-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 156409669
5-(2,2-Difluoroethoxy)-2-propan-2-yl-1,3-thiazole
CID 166087640
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 166088370

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 166087800) is 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole is FC(F)(F)COc1cnc(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is RZAYDJHGZDPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NOS/c7-1-4-11-2-5(13-4)12-3-6(8,9)10/h2H,1,3H2.
What are the key properties of 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 276.08 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 166087800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).