4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one

C11H11NO2S2 — CID 135033815

IUPAC4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one
SMILESCc1cc(O)c(Sc2cccs2)c(=O)n1C
InChIInChI=1S/C11H11NO2S2/c1-7-6-8(13)10(11(14)12(7)2)16-9-4-3-5-15-9/h3-6,13H,1-2H3
InChIKeyYMUPTBXGPQKOKF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.61
Rot. Bonds2

About 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one

4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one (PubChem CID 135033815) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one
PubChem CID135033815
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one
SMILESCc1cc(O)c(Sc2cccs2)c(=O)n1C
InChIInChI=1S/C11H11NO2S2/c1-7-6-8(13)10(11(14)12(7)2)16-9-4-3-5-15-9/h3-6,13H,1-2H3
InChIKeyYMUPTBXGPQKOKF-UHFFFAOYSA-N
XLogP2.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
1-ethyl-4-hydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]-6-methylpyridin-2-one
CID 54692593
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801933
3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 137227903
ethyl 3-amino-2-thiophen-2-ylsulfanylbenzoate
CID 112579955
bis(thiophen-2-ylsulfanyl) 2-methyl-3,5-bis(thiophen-2-ylsulfanyl)benzene-1,4-dicarboxylate
CID 175031183
N-(2-methoxy-2-thiophen-2-ylethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 50959243
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135719130
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
3-[(3-fluorophenyl)-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
CID 54703511

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one (CID 135033815) is 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one is Cc1cc(O)c(Sc2cccs2)c(=O)n1C.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one?
The InChIKey is YMUPTBXGPQKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7-6-8(13)10(11(14)12(7)2)16-9-4-3-5-15-9/h3-6,13H,1-2H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one?
4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one has a molecular weight of 253.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one is sourced from PubChem (CID 135033815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).