2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone

C7H3F3N2OS — CID 4228147

IUPAC2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone
SMILESO=C(c1cnc2sccn12)C(F)(F)F
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-3-11-6-12(4)1-2-14-6/h1-3H
InChIKeyVQIQFEGBZHKHHZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.14
Rot. Bonds1

About 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone

2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone (PubChem CID 4228147) has the molecular formula C7H3F3N2OS and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone
PubChem CID4228147
Molecular FormulaC7H3F3N2OS
Molecular Weight220.18 g/mol
Exact Mass219.99
IUPAC Name2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone
SMILESO=C(c1cnc2sccn12)C(F)(F)F
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-3-11-6-12(4)1-2-14-6/h1-3H
InChIKeyVQIQFEGBZHKHHZ-UHFFFAOYSA-N
XLogP2.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(2,1-b)(1,3)thiazole-6-carbaldehyde
CID 4961258
Imidazo(4,3-b)(1,3)thiazole-7-carbaldehyde
CID 22390357
2-Methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198291
2,2,2-Trifluoro-1-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}ethan-1-one
CID 4008219
Imidazo[2,1-b]thiazole-5-carboxamide
CID 89588649
6-(Trifluoromethyl)imidazo[2,1-b]thiazole-5-carbaldehyde
CID 3760850
7-Trifluoroacetylimidazo[5,1-b]thiazole
CID 23449099
7-Trifluoroacetyl-2-(tri-n-butylstannyl)imidazo[5,1-b]thiazole
CID 23449202
1-[2-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431757
1-[5-Chloro-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431760
1-[5-Iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431761
1-[5-Methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431762

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone (CID 4228147) is 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone is O=C(c1cnc2sccn12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone?
The InChIKey is VQIQFEGBZHKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-3-11-6-12(4)1-2-14-6/h1-3H.
What are the key properties of 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone?
2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone has a molecular weight of 220.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone is sourced from PubChem (CID 4228147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).