5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole

C13H8ClF3N2OS — CID 43476078

IUPAC5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1ccccc1Oc1nc2sccn2c1CCl
InChIInChI=1S/C13H8ClF3N2OS/c14-7-9-11(18-12-19(9)5-6-21-12)20-10-4-2-1-3-8(10)13(15,16)17/h1-6H,7H2
InChIKeyYEYKFGQSWYSNJS-UHFFFAOYSA-N
MW332.73 g/mol
LogP4.95
Rot. Bonds3

About 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole (PubChem CID 43476078) has the molecular formula C13H8ClF3N2OS and a molecular weight of 332.73 g/mol. Its IUPAC name is 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
PubChem CID43476078
Molecular FormulaC13H8ClF3N2OS
Molecular Weight332.73 g/mol
Exact Mass332.00
IUPAC Name5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1ccccc1Oc1nc2sccn2c1CCl
InChIInChI=1S/C13H8ClF3N2OS/c14-7-9-11(18-12-19(9)5-6-21-12)20-10-4-2-1-3-8(10)13(15,16)17/h1-6H,7H2
InChIKeyYEYKFGQSWYSNJS-UHFFFAOYSA-N
XLogP4.95
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole (CID 43476078) is 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1ccccc1Oc1nc2sccn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The InChIKey is YEYKFGQSWYSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2OS/c14-7-9-11(18-12-19(9)5-6-21-12)20-10-4-2-1-3-8(10)13(15,16)17/h1-6H,7H2.
What are the key properties of 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole has a molecular weight of 332.73 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 43476078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).