2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone

C12H11NOS — CID 58171199

IUPAC2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
SMILESCc1cnccc1CC(=O)c1cccs1
InChIInChI=1S/C12H11NOS/c1-9-8-13-5-4-10(9)7-11(14)12-3-2-6-15-12/h2-6,8H,7H2,1H3
InChIKeyPDJMNEZRFKLKES-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone

2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone (PubChem CID 58171199) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
PubChem CID58171199
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
SMILESCc1cnccc1CC(=O)c1cccs1
InChIInChI=1S/C12H11NOS/c1-9-8-13-5-4-10(9)7-11(14)12-3-2-6-15-12/h2-6,8H,7H2,1H3
InChIKeyPDJMNEZRFKLKES-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

2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
CID 148915032
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
1-thiophen-2-ylpropan-1-one
CID 26179
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
CID 126534748
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
2-(2-pyridin-2-ylphenyl)-1-thiophen-2-ylethanone
CID 151487263
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone (CID 58171199) is 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone is Cc1cnccc1CC(=O)c1cccs1.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone?
The InChIKey is PDJMNEZRFKLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-8-13-5-4-10(9)7-11(14)12-3-2-6-15-12/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone?
2-(3-methyl-4-pyridinyl)-1-thiophen-2-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 2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 58171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).