1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one

C14H15NO2S — CID 105123969

IUPAC1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
SMILESCOc1cncc(C(=O)CCCc2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-17-12-8-11(9-15-10-12)14(16)6-2-4-13-5-3-7-18-13/h3,5,7-10H,2,4,6H2,1H3
InChIKeyXEJLADFDNAOLAT-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.36
Rot. Bonds6

About 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one

1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105123969) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
PubChem CID105123969
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
SMILESCOc1cncc(C(=O)CCCc2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-17-12-8-11(9-15-10-12)14(16)6-2-4-13-5-3-7-18-13/h3,5,7-10H,2,4,6H2,1H3
InChIKeyXEJLADFDNAOLAT-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105124806
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105094097
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
3-(tert-butylamino)-1-(5-methoxy-3-pyridinyl)propan-1-one
CID 116557911
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one (CID 105123969) is 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one is COc1cncc(C(=O)CCCc2cccs2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is XEJLADFDNAOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-12-8-11(9-15-10-12)14(16)6-2-4-13-5-3-7-18-13/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 261.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105123969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).