2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol

C13H14FNOS — CID 105087760

IUPAC2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cncc(F)c2)s1
InChIInChI=1S/C13H14FNOS/c1-2-11-3-4-12(17-11)6-13(16)9-5-10(14)8-15-7-9/h3-5,7-8,13,16H,2,6H2,1H3
InChIKeyDTHHPIQRGGFNSU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol

2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 105087760) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID105087760
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cncc(F)c2)s1
InChIInChI=1S/C13H14FNOS/c1-2-11-3-4-12(17-11)6-13(16)9-5-10(14)8-15-7-9/h3-5,7-8,13,16H,2,6H2,1H3
InChIKeyDTHHPIQRGGFNSU-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol (CID 105087760) is 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol is CCc1ccc(CC(O)c2cncc(F)c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is DTHHPIQRGGFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-11-3-4-12(17-11)6-13(16)9-5-10(14)8-15-7-9/h3-5,7-8,13,16H,2,6H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 105087760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).