2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol

C15H19NO2S — CID 65148027

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2sccc2C)c1C
InChIInChI=1S/C15H19NO2S/c1-9-5-6-19-15(9)13(17)7-12-11(3)14(18-4)10(2)8-16-12/h5-6,8,13,17H,7H2,1-4H3
InChIKeySISINTWOYGUHBS-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 65148027) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID65148027
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2sccc2C)c1C
InChIInChI=1S/C15H19NO2S/c1-9-5-6-19-15(9)13(17)7-12-11(3)14(18-4)10(2)8-16-12/h5-6,8,13,17H,7H2,1-4H3
InChIKeySISINTWOYGUHBS-UHFFFAOYSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
CID 62606511
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 115843919
1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 115788146
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
1-(5-ethylfuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65149722
1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 62607399
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892895
1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65150589
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol (CID 65148027) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol is COc1c(C)cnc(CC(O)c2sccc2C)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is SISINTWOYGUHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-5-6-19-15(9)13(17)7-12-11(3)14(18-4)10(2)8-16-12/h5-6,8,13,17H,7H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 277.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 65148027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).