1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol

C17H17NOS — CID 79739397

IUPAC1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2csc3ccccc23)nc1
InChIInChI=1S/C17H17NOS/c1-2-12-7-8-13(18-10-12)9-16(19)15-11-20-17-6-4-3-5-14(15)17/h3-8,10-11,16,19H,2,9H2,1H3
InChIKeyYNZXOGUFVHLWJT-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.13
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 79739397) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID79739397
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2csc3ccccc23)nc1
InChIInChI=1S/C17H17NOS/c1-2-12-7-8-13(18-10-12)9-16(19)15-11-20-17-6-4-3-5-14(15)17/h3-8,10-11,16,19H,2,9H2,1H3
InChIKeyYNZXOGUFVHLWJT-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63893599
2-(5-ethyl-2-pyridinyl)-1-quinolin-4-ylethanol
CID 79723309
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739903
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(2,5-dibromophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822341
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(1-benzothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447520

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 79739397) is 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2csc3ccccc23)nc1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is YNZXOGUFVHLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-12-7-8-13(18-10-12)9-16(19)15-11-20-17-6-4-3-5-14(15)17/h3-8,10-11,16,19H,2,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 283.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79739397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).