1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone

C12H11NOS — CID 105091097

IUPAC1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
SMILESCc1cncc(C(=O)Cc2ccsc2)c1
InChIInChI=1S/C12H11NOS/c1-9-4-11(7-13-6-9)12(14)5-10-2-3-15-8-10/h2-4,6-8H,5H2,1H3
InChIKeyKFEPGKMGVFIAIB-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone

1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone (PubChem CID 105091097) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
PubChem CID105091097
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
SMILESCc1cncc(C(=O)Cc2ccsc2)c1
InChIInChI=1S/C12H11NOS/c1-9-4-11(7-13-6-9)12(14)5-10-2-3-15-8-10/h2-4,6-8H,5H2,1H3
InChIKeyKFEPGKMGVFIAIB-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105089326
1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
CID 173247446
[1-(thiophen-3-ylmethyl)piperidin-4-yl] 5-methylpyridine-3-carboxylate
CID 75384152
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373951
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone (CID 105091097) is 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone is Cc1cncc(C(=O)Cc2ccsc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone?
The InChIKey is KFEPGKMGVFIAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-4-11(7-13-6-9)12(14)5-10-2-3-15-8-10/h2-4,6-8H,5H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone?
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone has a molecular weight of 217.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 105091097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).