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

C6H6BrF2NS — CID 166088000

IUPAC2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CBr)s1
InChIInChI=1S/C6H6BrF2NS/c1-6(8,9)4-3-10-5(2-7)11-4/h3H,2H2,1H3
InChIKeyGCPBMMYQPJPPIS-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.15
Rot. Bonds2

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

2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 166088000) has the molecular formula C6H6BrF2NS and a molecular weight of 242.09 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID166088000
Molecular FormulaC6H6BrF2NS
Molecular Weight242.09 g/mol
Exact Mass240.94
IUPAC Name2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CBr)s1
InChIInChI=1S/C6H6BrF2NS/c1-6(8,9)4-3-10-5(2-7)11-4/h3H,2H2,1H3
InChIKeyGCPBMMYQPJPPIS-UHFFFAOYSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.15
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 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole (CID 166088000) is 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1cnc(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is GCPBMMYQPJPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2NS/c1-6(8,9)4-3-10-5(2-7)11-4/h3H,2H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole?
2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 242.09 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 166088000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).