4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine

C11H9Br2F3N4OS — CID 135150953

IUPAC4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2nc(-n3cc(Br)nc3Br)cs2)CCO1
InChIInChI=1S/C11H9Br2F3N4OS/c12-7-4-20(9(13)17-7)8-5-22-10(18-8)19-1-2-21-6(3-19)11(14,15)16/h4-6H,1-3H2
InChIKeyOEHXFMDKSQAOTP-UHFFFAOYSA-N
MW462.09 g/mol
LogP3.62
Rot. Bonds2

About 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine

4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine (PubChem CID 135150953) has the molecular formula C11H9Br2F3N4OS and a molecular weight of 462.09 g/mol. Its IUPAC name is 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine
PubChem CID135150953
Molecular FormulaC11H9Br2F3N4OS
Molecular Weight462.09 g/mol
Exact Mass459.88
IUPAC Name4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2nc(-n3cc(Br)nc3Br)cs2)CCO1
InChIInChI=1S/C11H9Br2F3N4OS/c12-7-4-20(9(13)17-7)8-5-22-10(18-8)19-1-2-21-6(3-19)11(14,15)16/h4-6H,1-3H2
InChIKeyOEHXFMDKSQAOTP-UHFFFAOYSA-N
XLogP3.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.09
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine (CID 135150953) is 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2nc(-n3cc(Br)nc3Br)cs2)CCO1.
What is the InChIKey of 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is OEHXFMDKSQAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2F3N4OS/c12-7-4-20(9(13)17-7)8-5-22-10(18-8)19-1-2-21-6(3-19)11(14,15)16/h4-6H,1-3H2.
What are the key properties of 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine?
4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 462.09 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 135150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).