5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C10H11BrF3N3S — CID 107082165

IUPAC5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C10H11BrF3N3S/c1-2-16(6-10(12,13)14)8-7(5-11)17-3-4-18-9(17)15-8/h3-4H,2,5-6H2,1H3
InChIKeyWORVCHDCJXGYRL-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.68
Rot. Bonds4

About 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107082165) has the molecular formula C10H11BrF3N3S and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107082165
Molecular FormulaC10H11BrF3N3S
Molecular Weight342.18 g/mol
Exact Mass340.98
IUPAC Name5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C10H11BrF3N3S/c1-2-16(6-10(12,13)14)8-7(5-11)17-3-4-18-9(17)15-8/h3-4H,2,5-6H2,1H3
InChIKeyWORVCHDCJXGYRL-UHFFFAOYSA-N
XLogP3.68
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.68
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-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 107082165) is 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCN(CC(F)(F)F)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WORVCHDCJXGYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3S/c1-2-16(6-10(12,13)14)8-7(5-11)17-3-4-18-9(17)15-8/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 342.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107082165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).