(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone

C15H15NO2S — CID 105124040

IUPAC(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
SMILESCOc1cncc(C(=O)C2CCCc3sccc32)c1
InChIInChI=1S/C15H15NO2S/c1-18-11-7-10(8-16-9-11)15(17)13-3-2-4-14-12(13)5-6-19-14/h5-9,13H,2-4H2,1H3
InChIKeyMBJRHZQMMMZXNW-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.45
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone

(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone (PubChem CID 105124040) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
PubChem CID105124040
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
SMILESCOc1cncc(C(=O)C2CCCc3sccc32)c1
InChIInChI=1S/C15H15NO2S/c1-18-11-7-10(8-16-9-11)15(17)13-3-2-4-14-12(13)5-6-19-14/h5-9,13H,2-4H2,1H3
InChIKeyMBJRHZQMMMZXNW-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 102839735
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
(1-methylpyrazol-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 103133709
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105113140
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105110985
(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562019
(2-methylcyclopentyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 107179387
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 102738556
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 115373964

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The IUPAC name of (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone (CID 105124040) is (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone is COc1cncc(C(=O)C2CCCc3sccc32)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The InChIKey is MBJRHZQMMMZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-11-7-10(8-16-9-11)15(17)13-3-2-4-14-12(13)5-6-19-14/h5-9,13H,2-4H2,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone is sourced from PubChem (CID 105124040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).