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

C9H7F3N2OS — CID 121431762

IUPAC1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1nc2sc(C(F)(F)F)cn2c1C
InChIInChI=1S/C9H7F3N2OS/c1-4-7(5(2)15)13-8-14(4)3-6(16-8)9(10,11)12/h3H,1-2H3
InChIKeyBKSHBHWHOPJWTK-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.93
Rot. Bonds1

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

1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (PubChem CID 121431762) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
PubChem CID121431762
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCC(=O)c1nc2sc(C(F)(F)F)cn2c1C
InChIInChI=1S/C9H7F3N2OS/c1-4-7(5(2)15)13-8-14(4)3-6(16-8)9(10,11)12/h3H,1-2H3
InChIKeyBKSHBHWHOPJWTK-UHFFFAOYSA-N
XLogP2.93
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The IUPAC name of 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (CID 121431762) is 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is CC(=O)c1nc2sc(C(F)(F)F)cn2c1C.
What is the InChIKey of 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The InChIKey is BKSHBHWHOPJWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-4-7(5(2)15)13-8-14(4)3-6(16-8)9(10,11)12/h3H,1-2H3.
What are the key properties of 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone has a molecular weight of 248.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is sourced from PubChem (CID 121431762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).