5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole

C12H13BrF3N3S — CID 107084211

IUPAC5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)C1CCCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C12H13BrF3N3S/c13-6-9-10(17-11-19(9)4-5-20-11)18-3-1-2-8(7-18)12(14,15)16/h4-5,8H,1-3,6-7H2
InChIKeyXSKNNJBLSIFDGQ-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.07
Rot. Bonds2

About 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 107084211) has the molecular formula C12H13BrF3N3S and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID107084211
Molecular FormulaC12H13BrF3N3S
Molecular Weight368.22 g/mol
Exact Mass367.00
IUPAC Name5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)C1CCCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C12H13BrF3N3S/c13-6-9-10(17-11-19(9)4-5-20-11)18-3-1-2-8(7-18)12(14,15)16/h4-5,8H,1-3,6-7H2
InChIKeyXSKNNJBLSIFDGQ-UHFFFAOYSA-N
XLogP4.07
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.07
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)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole (CID 107084211) is 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)C1CCCN(c2nc3sccn3c2CBr)C1.
What is the InChIKey of 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is XSKNNJBLSIFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N3S/c13-6-9-10(17-11-19(9)4-5-20-11)18-3-1-2-8(7-18)12(14,15)16/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 368.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).