2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

C16H11N3O3S — CID 82062382

IUPAC2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccco2)nc2scc(-c3ccncc3)n12
InChIInChI=1S/C16H11N3O3S/c20-14(21)8-11-15(13-2-1-7-22-13)18-16-19(11)12(9-23-16)10-3-5-17-6-4-10/h1-7,9H,8H2,(H,20,21)
InChIKeyGYDPFRILJHFACT-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.34
Rot. Bonds4

About 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (PubChem CID 82062382) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
PubChem CID82062382
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccco2)nc2scc(-c3ccncc3)n12
InChIInChI=1S/C16H11N3O3S/c20-14(21)8-11-15(13-2-1-7-22-13)18-16-19(11)12(9-23-16)10-3-5-17-6-4-10/h1-7,9H,8H2,(H,20,21)
InChIKeyGYDPFRILJHFACT-UHFFFAOYSA-N
XLogP3.34
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[6-(furan-2-yl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062379
2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062345
3-(4-ethylphenyl)-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216173
2-[3-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 82035969
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 98019202
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
3,6-dipyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068723
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The IUPAC name of 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (CID 82062382) is 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is O=C(O)Cc1c(-c2ccco2)nc2scc(-c3ccncc3)n12.
What is the InChIKey of 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The InChIKey is GYDPFRILJHFACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14(21)8-11-15(13-2-1-7-22-13)18-16-19(11)12(9-23-16)10-3-5-17-6-4-10/h1-7,9H,8H2,(H,20,21).
What are the key properties of 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid has a molecular weight of 325.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is sourced from PubChem (CID 82062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).