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

C12H11NOS — CID 63840069

IUPAC1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
SMILESCc1ccnc(C(=O)Cc2cccs2)c1
InChIInChI=1S/C12H11NOS/c1-9-4-5-13-11(7-9)12(14)8-10-3-2-6-15-10/h2-7H,8H2,1H3
InChIKeyBERUXUQUJXIEAV-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

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

1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone (PubChem CID 63840069) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
PubChem CID63840069
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
SMILESCc1ccnc(C(=O)Cc2cccs2)c1
InChIInChI=1S/C12H11NOS/c1-9-4-5-13-11(7-9)12(14)8-10-3-2-6-15-10/h2-7H,8H2,1H3
InChIKeyBERUXUQUJXIEAV-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-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79820339
1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
1-(4-methyl-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone
CID 71350036
1-(4-methyl-2-pyridinyl)hexan-1-one
CID 63841215
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone (CID 63840069) is 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone is Cc1ccnc(C(=O)Cc2cccs2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone?
The InChIKey is BERUXUQUJXIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-4-5-13-11(7-9)12(14)8-10-3-2-6-15-10/h2-7H,8H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone?
1-(4-methyl-2-pyridinyl)-2-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 1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 63840069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).