1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one

C14H15NOS — CID 107502319

IUPAC1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccsc2)cc(C)n1
InChIInChI=1S/C14H15NOS/c1-10-7-13(8-11(2)15-10)14(16)4-3-12-5-6-17-9-12/h5-9H,3-4H2,1-2H3
InChIKeyOMSKWBWKUMIOPT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.58
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one

1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 107502319) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
PubChem CID107502319
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccsc2)cc(C)n1
InChIInChI=1S/C14H15NOS/c1-10-7-13(8-11(2)15-10)14(16)4-3-12-5-6-17-9-12/h5-9H,3-4H2,1-2H3
InChIKeyOMSKWBWKUMIOPT-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
2-hydrazinyl-6-methyl-N-(2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 113379201
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
CID 116613033
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one (CID 107502319) is 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one is Cc1cc(C(=O)CCc2ccsc2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is OMSKWBWKUMIOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-7-13(8-11(2)15-10)14(16)4-3-12-5-6-17-9-12/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one?
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 245.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 107502319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).