naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone

C18H11NOS — CID 81153173

IUPACnaphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc2ccsc2c1
InChIInChI=1S/C18H11NOS/c20-18(15-10-17-16(19-11-15)7-8-21-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H
InChIKeyGMDSIRTXOQMCER-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.68
Rot. Bonds2

About naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone

naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone (PubChem CID 81153173) has the molecular formula C18H11NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone
PubChem CID81153173
Molecular FormulaC18H11NOS
Molecular Weight289.36 g/mol
Exact Mass289.06
IUPAC Namenaphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc2ccsc2c1
InChIInChI=1S/C18H11NOS/c20-18(15-10-17-16(19-11-15)7-8-21-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H
InChIKeyGMDSIRTXOQMCER-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The IUPAC name of naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone (CID 81153173) is naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The canonical SMILES for naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone is O=C(c1ccc2ccccc2c1)c1cnc2ccsc2c1.
What is the InChIKey of naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The InChIKey is GMDSIRTXOQMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-18(15-10-17-16(19-11-15)7-8-21-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H.
What are the key properties of naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone?
naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone is sourced from PubChem (CID 81153173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).