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

C15H11N3O2S — CID 59577515

IUPAC[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
SMILESNCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C15H11N3O2S/c16-7-9-8-19-12-6-10(3-4-11(9)12)20-15-18-14-13(21-15)2-1-5-17-14/h1-6,8H,7,16H2
InChIKeySDKKIXNVWSHLJQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.69
Rot. Bonds3

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

[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine (PubChem CID 59577515) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
PubChem CID59577515
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
SMILESNCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C15H11N3O2S/c16-7-9-8-19-12-6-10(3-4-11(9)12)20-15-18-14-13(21-15)2-1-5-17-14/h1-6,8H,7,16H2
InChIKeySDKKIXNVWSHLJQ-UHFFFAOYSA-N
XLogP3.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine?
The IUPAC name of [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine (CID 59577515) is [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine is NCc1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine?
The InChIKey is SDKKIXNVWSHLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-7-9-8-19-12-6-10(3-4-11(9)12)20-15-18-14-13(21-15)2-1-5-17-14/h1-6,8H,7,16H2.
What are the key properties of [6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine?
[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine has a molecular weight of 297.34 g/mol, XLogP of 3.69, 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-yl]methanamine is sourced from PubChem (CID 59577515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).