1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol

C12H13NO2S — CID 105121291

IUPAC1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
SMILESCOc1cncc(C(O)Cc2ccsc2)c1
InChIInChI=1S/C12H13NO2S/c1-15-11-5-10(6-13-7-11)12(14)4-9-2-3-16-8-9/h2-3,5-8,12,14H,4H2,1H3
InChIKeyPZXGKPGWXZIHDT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.43
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol

1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol (PubChem CID 105121291) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
PubChem CID105121291
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
SMILESCOc1cncc(C(O)Cc2ccsc2)c1
InChIInChI=1S/C12H13NO2S/c1-15-11-5-10(6-13-7-11)12(14)4-9-2-3-16-8-9/h2-3,5-8,12,14H,4H2,1H3
InChIKeyPZXGKPGWXZIHDT-UHFFFAOYSA-N
XLogP2.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
CID 65151106
[1-(5-ethoxy-3-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105329994
2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
CID 65148023
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105176149
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanol
CID 81144126
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol (CID 105121291) is 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol is COc1cncc(C(O)Cc2ccsc2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol?
The InChIKey is PZXGKPGWXZIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-11-5-10(6-13-7-11)12(14)4-9-2-3-16-8-9/h2-3,5-8,12,14H,4H2,1H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol?
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol has a molecular weight of 235.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105121291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).