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

C15H12N2O3S — CID 70835350

IUPAC[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOCC1Cc2cc(Oc3nc4ncccc4s3)ccc2O1
InChIInChI=1S/C15H12N2O3S/c18-8-11-7-9-6-10(3-4-12(9)19-11)20-15-17-14-13(21-15)2-1-5-16-14/h1-6,11,18H,7-8H2
InChIKeyHEGMXDMWYMDRSA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.78
Rot. Bonds3

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

[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 70835350) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID70835350
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOCC1Cc2cc(Oc3nc4ncccc4s3)ccc2O1
InChIInChI=1S/C15H12N2O3S/c18-8-11-7-9-6-10(3-4-12(9)19-11)20-15-17-14-13(21-15)2-1-5-16-14/h1-6,11,18H,7-8H2
InChIKeyHEGMXDMWYMDRSA-UHFFFAOYSA-N
XLogP2.78
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 70835350) is [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol is OCC1Cc2cc(Oc3nc4ncccc4s3)ccc2O1.
What is the InChIKey of [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is HEGMXDMWYMDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-8-11-7-9-6-10(3-4-12(9)19-11)20-15-17-14-13(21-15)2-1-5-16-14/h1-6,11,18H,7-8H2.
What are the key properties of [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol?
[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 300.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 70835350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).