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

C9H7F3N2O2S — CID 81496060

IUPAC3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)6-3-14-5(1-2-7(15)16)4-17-8(14)13-6/h3-4H,1-2H2,(H,15,16)
InChIKeyRNEGYBDUIZHPQK-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.43
Rot. Bonds3

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

3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid (PubChem CID 81496060) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
PubChem CID81496060
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
SMILESO=C(O)CCc1csc2nc(C(F)(F)F)cn12
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)6-3-14-5(1-2-7(15)16)4-17-8(14)13-6/h3-4H,1-2H2,(H,15,16)
InChIKeyRNEGYBDUIZHPQK-UHFFFAOYSA-N
XLogP2.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid (CID 81496060) is 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid is O=C(O)CCc1csc2nc(C(F)(F)F)cn12.
What is the InChIKey of 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The InChIKey is RNEGYBDUIZHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-9(11,12)6-3-14-5(1-2-7(15)16)4-17-8(14)13-6/h3-4H,1-2H2,(H,15,16).
What are the key properties of 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid has a molecular weight of 264.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid is sourced from PubChem (CID 81496060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).