6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid

C15H8N2O4S — CID 59577623

IUPAC6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C15H8N2O4S/c18-14(19)10-7-20-11-6-8(3-4-9(10)11)21-15-17-13-12(22-15)2-1-5-16-13/h1-7H,(H,18,19)
InChIKeyGSXPBOFQXNJEPF-UHFFFAOYSA-N
MW312.31 g/mol
LogP3.93
Rot. Bonds3

About 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid

6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid (PubChem CID 59577623) has the molecular formula C15H8N2O4S and a molecular weight of 312.31 g/mol. Its IUPAC name is 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid
PubChem CID59577623
Molecular FormulaC15H8N2O4S
Molecular Weight312.31 g/mol
Exact Mass312.02
IUPAC Name6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C15H8N2O4S/c18-14(19)10-7-20-11-6-8(3-4-9(10)11)21-15-17-13-12(22-15)2-1-5-16-13/h1-7H,(H,18,19)
InChIKeyGSXPBOFQXNJEPF-UHFFFAOYSA-N
XLogP3.93
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanone
CID 59577677
[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
CID 59577515
2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577564
tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate
CID 59577389
1-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 59577548
2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577573
ethyl 3-[methyl-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]amino]propanoate
CID 59577636
formic acid;2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66787554
formic acid;2-[[3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66786867
formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66787476
N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]cyclohexanamine
CID 66786522
(1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 66787648

Frequently Asked Questions

What is the IUPAC name of 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid (CID 59577623) is 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid?
The InChIKey is GSXPBOFQXNJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O4S/c18-14(19)10-7-20-11-6-8(3-4-9(10)11)21-15-17-13-12(22-15)2-1-5-16-13/h1-7H,(H,18,19).
What are the key properties of 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid?
6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid has a molecular weight of 312.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 59577623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).