2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone

C14H15NOS — CID 105089326

IUPAC2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cncc(C)c2)s1
InChIInChI=1S/C14H15NOS/c1-3-12-4-5-13(17-12)7-14(16)11-6-10(2)8-15-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZDSVQKRGYPYPKE-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.44
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 105089326) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID105089326
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cncc(C)c2)s1
InChIInChI=1S/C14H15NOS/c1-3-12-4-5-13(17-12)7-14(16)11-6-10(2)8-15-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZDSVQKRGYPYPKE-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenyl-1H-pyrrol-3-yl)(2-thienyl)methanone
CID 7285300
1-(5-Methyl-3-pyridinyl)-1-decanone
CID 71347088
N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
2-(Pyridin-2-ylsulfanyl)-1-p-tolyl-ethanone
CID 650306
Phenyl(2-phenyl-1,3-thiazol-5-yl)methanone
CID 3780158
Phenyl-(4-p-tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanone
CID 9841875
1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-ethanone
CID 9904395
5-(Pyridin-3-yl)thiophene-2-carbaldehyde
CID 10899427
Thieno[3,2-C]pyridine-2-carbaldehyde
CID 20440932
(E)-N'-((5-methylthiophen-2-yl)methylene)nicotinohydrazide
CID 6878583

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone (CID 105089326) is 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone is CCc1ccc(CC(=O)c2cncc(C)c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is ZDSVQKRGYPYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-12-4-5-13(17-12)7-14(16)11-6-10(2)8-15-9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 245.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105089326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).