4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

C9H7F3N2OS — CID 115333076

IUPAC4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)4-7(15)3-6-5-14-1-2-16-8(14)13-6/h1-2,5H,3-4H2
InChIKeyOWHYFLIZJXVBKU-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.46
Rot. Bonds3

About 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (PubChem CID 115333076) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
PubChem CID115333076
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESO=C(Cc1cn2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)4-7(15)3-6-5-14-1-2-16-8(14)13-6/h1-2,5H,3-4H2
InChIKeyOWHYFLIZJXVBKU-UHFFFAOYSA-N
XLogP2.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (CID 115333076) is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.
What is the SMILES notation for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The canonical SMILES for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is O=C(Cc1cn2ccsc2n1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The InChIKey is OWHYFLIZJXVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)4-7(15)3-6-5-14-1-2-16-8(14)13-6/h1-2,5H,3-4H2.
What are the key properties of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one has a molecular weight of 248.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is sourced from PubChem (CID 115333076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).