2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C20H13N3OS — CID 170401926

IUPAC2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cccc(-c4nccs4)n3)cccc12
InChIInChI=1S/C20H13N3OS/c1-12-8-9-14-13-4-2-5-15(18(13)24-19(14)22-12)16-6-3-7-17(23-16)20-21-10-11-25-20/h2-11H,1H3
InChIKeyHAQRGWPURKKEDE-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.47
Rot. Bonds2

About 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 170401926) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID170401926
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cccc(-c4nccs4)n3)cccc12
InChIInChI=1S/C20H13N3OS/c1-12-8-9-14-13-4-2-5-15(18(13)24-19(14)22-12)16-6-3-7-17(23-16)20-21-10-11-25-20/h2-11H,1H3
InChIKeyHAQRGWPURKKEDE-UHFFFAOYSA-N
XLogP5.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 170401926) is 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cccc(-c4nccs4)n3)cccc12.
What is the InChIKey of 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HAQRGWPURKKEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-12-8-9-14-13-4-2-5-15(18(13)24-19(14)22-12)16-6-3-7-17(23-16)20-21-10-11-25-20/h2-11H,1H3.
What are the key properties of 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 343.41 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170401926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).