6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one

C15H13NO2S — CID 118717090

IUPAC6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1
InChIInChI=1S/C15H13NO2S/c1-10-6-12(16(18)15(17)7-10)9-13-8-11-4-2-3-5-14(11)19-13/h2-8,18H,9H2,1H3
InChIKeyTYGAJGWIXNLPEB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.20
Rot. Bonds2

About 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one

6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one (PubChem CID 118717090) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one
PubChem CID118717090
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1
InChIInChI=1S/C15H13NO2S/c1-10-6-12(16(18)15(17)7-10)9-13-8-11-4-2-3-5-14(11)19-13/h2-8,18H,9H2,1H3
InChIKeyTYGAJGWIXNLPEB-UHFFFAOYSA-N
XLogP3.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one (CID 118717090) is 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one is Cc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1.
What is the InChIKey of 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is TYGAJGWIXNLPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-6-12(16(18)15(17)7-10)9-13-8-11-4-2-3-5-14(11)19-13/h2-8,18H,9H2,1H3.
What are the key properties of 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one?
6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-ylmethyl)-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 118717090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).