1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone

C12H11NOS — CID 66490371

IUPAC1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C12H11NOS/c1-8-10(9(2)14)5-6-11(13-8)12-4-3-7-15-12/h3-7H,1-2H3
InChIKeyFPOKAPLARXUWKC-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone

1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone (PubChem CID 66490371) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
PubChem CID66490371
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C12H11NOS/c1-8-10(9(2)14)5-6-11(13-8)12-4-3-7-15-12/h3-7H,1-2H3
InChIKeyFPOKAPLARXUWKC-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-phenyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428121
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 86918361
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
CID 15314346
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
CID 111434240
2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
CID 120519701
4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid
CID 120513830
N-(1,3-benzodioxol-5-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39427750
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
CID 55463268
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497
2,3-dimethyl-6-thiophen-2-ylpyridine-4-carboxamide
CID 154466678
2-methyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 39897614

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone (CID 66490371) is 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone is CC(=O)c1ccc(-c2cccs2)nc1C.
What is the InChIKey of 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone?
The InChIKey is FPOKAPLARXUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-10(9(2)14)5-6-11(13-8)12-4-3-7-15-12/h3-7H,1-2H3.
What are the key properties of 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone?
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone has a molecular weight of 217.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 66490371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).