1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone

C8H4F3IN2OS — CID 121431761

IUPAC1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1nc2sc(C(F)(F)F)cn2c1I
InChIInChI=1S/C8H4F3IN2OS/c1-3(15)5-6(12)14-2-4(8(9,10)11)16-7(14)13-5/h2H,1H3
InChIKeyOKQBPLQOFJZFMA-UHFFFAOYSA-N
MW360.10 g/mol
LogP3.22
Rot. Bonds1

About 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone

1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (PubChem CID 121431761) has the molecular formula C8H4F3IN2OS and a molecular weight of 360.10 g/mol. Its IUPAC name is 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
PubChem CID121431761
Molecular FormulaC8H4F3IN2OS
Molecular Weight360.10 g/mol
Exact Mass359.90
IUPAC Name1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1nc2sc(C(F)(F)F)cn2c1I
InChIInChI=1S/C8H4F3IN2OS/c1-3(15)5-6(12)14-2-4(8(9,10)11)16-7(14)13-5/h2H,1H3
InChIKeyOKQBPLQOFJZFMA-UHFFFAOYSA-N
XLogP3.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The IUPAC name of 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (CID 121431761) is 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.
What is the SMILES notation for 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The canonical SMILES for 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is CC(=O)c1nc2sc(C(F)(F)F)cn2c1I.
What is the InChIKey of 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The InChIKey is OKQBPLQOFJZFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2OS/c1-3(15)5-6(12)14-2-4(8(9,10)11)16-7(14)13-5/h2H,1H3.
What are the key properties of 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone has a molecular weight of 360.10 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is sourced from PubChem (CID 121431761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).