2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone

C7H3F3N2OS — CID 23449099

IUPAC2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone
SMILESO=C(c1ncn2ccsc12)C(F)(F)F
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6/h1-3H
InChIKeyMIRURQBGDJNFKN-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.14
Rot. Bonds1

About 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone

2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone (PubChem CID 23449099) has the molecular formula C7H3F3N2OS and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone
PubChem CID23449099
Molecular FormulaC7H3F3N2OS
Molecular Weight220.18 g/mol
Exact Mass219.99
IUPAC Name2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone
SMILESO=C(c1ncn2ccsc12)C(F)(F)F
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6/h1-3H
InChIKeyMIRURQBGDJNFKN-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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone (CID 23449099) is 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone is O=C(c1ncn2ccsc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone?
The InChIKey is MIRURQBGDJNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2OS/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6/h1-3H.
What are the key properties of 2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-ylethanone?
2,2,2-trifluoro-1-imidazo[5,1-b][1,3]thiazol-7-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[5,1-b][1,3]thiazol-7-ylethanone is sourced from PubChem (CID 23449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).