1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone

C12H11NOS — CID 58514854

IUPAC1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)cs1
InChIInChI=1S/C12H11NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h2-6,8H,7H2,1H3
InChIKeyLNNDBZFUGXVPNJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone

1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone (PubChem CID 58514854) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
PubChem CID58514854
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)cs1
InChIInChI=1S/C12H11NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h2-6,8H,7H2,1H3
InChIKeyLNNDBZFUGXVPNJ-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-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099524
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone
CID 71262844
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282363
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone (CID 58514854) is 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone is Cc1cc(C(=O)Cc2ccncc2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone?
The InChIKey is LNNDBZFUGXVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone?
1-(5-methylthiophen-3-yl)-2-pyridin-4-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-methylthiophen-3-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 58514854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).