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

C10H9F3N2O2S — CID 80661515

IUPAC4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)7-4-15-6(2-1-3-8(16)17)5-18-9(15)14-7/h4-5H,1-3H2,(H,16,17)
InChIKeyDIZHALPSAARJKQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.82
Rot. Bonds4

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

4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (PubChem CID 80661515) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
PubChem CID80661515
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)7-4-15-6(2-1-3-8(16)17)5-18-9(15)14-7/h4-5H,1-3H2,(H,16,17)
InChIKeyDIZHALPSAARJKQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The IUPAC name of 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (CID 80661515) is 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is O=C(O)CCCc1csc2nc(C(F)(F)F)cn12.
What is the InChIKey of 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The InChIKey is DIZHALPSAARJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)7-4-15-6(2-1-3-8(16)17)5-18-9(15)14-7/h4-5H,1-3H2,(H,16,17).
What are the key properties of 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid has a molecular weight of 278.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is sourced from PubChem (CID 80661515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).