2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one

C11H11NOS — CID 67880239

IUPAC2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1scc(-c2cc(=O)cc[nH]2)c1C
InChIInChI=1S/C11H11NOS/c1-7-8(2)14-6-10(7)11-5-9(13)3-4-12-11/h3-6H,1-2H3,(H,12,13)
InChIKeyZXFWCADLKXPFPJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.72
Rot. Bonds1

About 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one

2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one (PubChem CID 67880239) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one
PubChem CID67880239
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1scc(-c2cc(=O)cc[nH]2)c1C
InChIInChI=1S/C11H11NOS/c1-7-8(2)14-6-10(7)11-5-9(13)3-4-12-11/h3-6H,1-2H3,(H,12,13)
InChIKeyZXFWCADLKXPFPJ-UHFFFAOYSA-N
XLogP2.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-5-methylthiophen-3-yl)-1H-pyridin-4-one
CID 67880238
2-(Thiophen-2-yl)pyridin-4(1H)-one
CID 45788015
2-(2-Methylthiophen-3-yl)pyridin-4(1H)-one
CID 53445762
2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
CID 67880219
2-(2,4-dimethylthiophen-3-yl)-1H-pyridin-4-one
CID 68112782
2-methyl-6-(2-methylthiophen-3-yl)-1H-pyridin-4-one
CID 68112784
2-(4-chloro-2-methylthiophen-3-yl)-1H-pyridin-4-one
CID 68112859
3-methyl-4-methylidene-5H-thieno[3,2-c]pyridine
CID 89058111
(3Z)-4-methyl-3-[methylamino(thiophen-2-yl)methylidene]pentan-2-one
CID 144700350
2-(4-Ethylthiophen-2-yl)pyridin-4(1H)-one
CID 53445497
2-(3-methylthiophen-2-yl)-1H-pyridin-4-one
CID 53445763
1-Methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one
CID 60931029

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one (CID 67880239) is 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one is Cc1scc(-c2cc(=O)cc[nH]2)c1C.
What is the InChIKey of 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one?
The InChIKey is ZXFWCADLKXPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-8(2)14-6-10(7)11-5-9(13)3-4-12-11/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one?
2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 67880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).