6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one

C14H11NOS — CID 167786164

IUPAC6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2cc3ccccc3s2)[nH]c1=O
InChIInChI=1S/C14H11NOS/c1-9-6-7-11(15-14(9)16)13-8-10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H,15,16)
InChIKeyFWUBAMFVSCFMNL-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.57
Rot. Bonds1

About 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one

6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one (PubChem CID 167786164) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
PubChem CID167786164
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(-c2cc3ccccc3s2)[nH]c1=O
InChIInChI=1S/C14H11NOS/c1-9-6-7-11(15-14(9)16)13-8-10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H,15,16)
InChIKeyFWUBAMFVSCFMNL-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
CID 53217900
6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
CID 154352943
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-(1-benzothiophen-2-yl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174770480
2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136654
3-(1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 67070517
5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 57137168
CID 59413459
CID 59413459
(3E)-6-(1-benzothiophen-2-yl)-3-[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]-1H-indol-2-one
CID 102341075
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one (CID 167786164) is 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one is Cc1ccc(-c2cc3ccccc3s2)[nH]c1=O.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one?
The InChIKey is FWUBAMFVSCFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-6-7-11(15-14(9)16)13-8-10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one?
6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one has a molecular weight of 241.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 167786164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).