methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate

C11H11F3N2O2S — CID 80662111

IUPACmethyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate
SMILESCOC(=O)CCCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C11H11F3N2O2S/c1-18-9(17)4-2-3-7-6-19-10-15-8(5-16(7)10)11(12,13)14/h5-6H,2-4H2,1H3
InChIKeyUXVLRJUYBKCQMP-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.91
Rot. Bonds4

About methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate

methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate (PubChem CID 80662111) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate
PubChem CID80662111
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Namemethyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate
SMILESCOC(=O)CCCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C11H11F3N2O2S/c1-18-9(17)4-2-3-7-6-19-10-15-8(5-16(7)10)11(12,13)14/h5-6H,2-4H2,1H3
InChIKeyUXVLRJUYBKCQMP-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate?
The IUPAC name of methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate (CID 80662111) is methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate.
What is the SMILES notation for methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate?
The canonical SMILES for methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate is COC(=O)CCCc1csc2nc(C(F)(F)F)cn12.
What is the InChIKey of methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate?
The InChIKey is UXVLRJUYBKCQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-18-9(17)4-2-3-7-6-19-10-15-8(5-16(7)10)11(12,13)14/h5-6H,2-4H2,1H3.
What are the key properties of methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate?
methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate has a molecular weight of 292.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate is sourced from PubChem (CID 80662111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).