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

C13H16N2O2S — CID 113449070

IUPAC3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESO=C(O)CCc1csc2nc(C3CCCC3)cn12
InChIInChI=1S/C13H16N2O2S/c16-12(17)6-5-10-8-18-13-14-11(7-15(10)13)9-3-1-2-4-9/h7-9H,1-6H2,(H,16,17)
InChIKeyPXQMHVQFWUQZLG-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.07
Rot. Bonds4

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

3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (PubChem CID 113449070) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
PubChem CID113449070
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESO=C(O)CCc1csc2nc(C3CCCC3)cn12
InChIInChI=1S/C13H16N2O2S/c16-12(17)6-5-10-8-18-13-14-11(7-15(10)13)9-3-1-2-4-9/h7-9H,1-6H2,(H,16,17)
InChIKeyPXQMHVQFWUQZLG-UHFFFAOYSA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The IUPAC name of 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (CID 113449070) is 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is O=C(O)CCc1csc2nc(C3CCCC3)cn12.
What is the InChIKey of 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The InChIKey is PXQMHVQFWUQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-12(17)6-5-10-8-18-13-14-11(7-15(10)13)9-3-1-2-4-9/h7-9H,1-6H2,(H,16,17).
What are the key properties of 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is sourced from PubChem (CID 113449070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).