(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone

C13H9NO2S — CID 79168682

IUPAC(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone
SMILESCc1ccc2oc(C(=O)c3ccsc3)cc2n1
InChIInChI=1S/C13H9NO2S/c1-8-2-3-11-10(14-8)6-12(16-11)13(15)9-4-5-17-7-9/h2-7H,1H3
InChIKeyIIBHWLWAYOKPOS-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.43
Rot. Bonds2

About (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone

(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone (PubChem CID 79168682) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone
PubChem CID79168682
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone
SMILESCc1ccc2oc(C(=O)c3ccsc3)cc2n1
InChIInChI=1S/C13H9NO2S/c1-8-2-3-11-10(14-8)6-12(16-11)13(15)9-4-5-17-7-9/h2-7H,1H3
InChIKeyIIBHWLWAYOKPOS-UHFFFAOYSA-N
XLogP3.43
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone?
The IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone (CID 79168682) is (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone is Cc1ccc2oc(C(=O)c3ccsc3)cc2n1.
What is the InChIKey of (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone?
The InChIKey is IIBHWLWAYOKPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-2-3-11-10(14-8)6-12(16-11)13(15)9-4-5-17-7-9/h2-7H,1H3.
What are the key properties of (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone?
(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone has a molecular weight of 243.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 79168682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).