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

C8H5F3N2OS — CID 121431757

IUPAC1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1cn2cc(C(F)(F)F)sc2n1
InChIInChI=1S/C8H5F3N2OS/c1-4(14)5-2-13-3-6(8(9,10)11)15-7(13)12-5/h2-3H,1H3
InChIKeyKDHJNHQERUWYCS-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.62
Rot. Bonds1

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

1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (PubChem CID 121431757) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
PubChem CID121431757
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1cn2cc(C(F)(F)F)sc2n1
InChIInChI=1S/C8H5F3N2OS/c1-4(14)5-2-13-3-6(8(9,10)11)15-7(13)12-5/h2-3H,1H3
InChIKeyKDHJNHQERUWYCS-UHFFFAOYSA-N
XLogP2.62
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4961258
CID 39198291
CID 39198291
CID 4008219
CID 4008219
CID 11379300
CID 11379300
CID 23449099
CID 23449099
CID 23449202
CID 23449202
CID 121431760
CID 121431760
CID 121431761
CID 121431761
CID 121431762
CID 121431762
CID 121431763
CID 121431763
CID 121431766
CID 121431766
CID 123213225
CID 123213225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (CID 121431757) is 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is CC(=O)c1cn2cc(C(F)(F)F)sc2n1.
What is the InChIKey of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The InChIKey is KDHJNHQERUWYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c1-4(14)5-2-13-3-6(8(9,10)11)15-7(13)12-5/h2-3H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone has a molecular weight of 234.20 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is sourced from PubChem (CID 121431757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).