1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol

C17H16FN3OS — CID 167901324

IUPAC1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol
SMILESCc1ccc(C(O)CNc2cncc(-c3cccs3)n2)cc1F
InChIInChI=1S/C17H16FN3OS/c1-11-4-5-12(7-13(11)18)15(22)9-20-17-10-19-8-14(21-17)16-3-2-6-23-16/h2-8,10,15,22H,9H2,1H3,(H,20,21)
InChIKeySFRWEGGSXYMVFF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.80
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol

1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol (PubChem CID 167901324) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol
PubChem CID167901324
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol
SMILESCc1ccc(C(O)CNc2cncc(-c3cccs3)n2)cc1F
InChIInChI=1S/C17H16FN3OS/c1-11-4-5-12(7-13(11)18)15(22)9-20-17-10-19-8-14(21-17)16-3-2-6-23-16/h2-8,10,15,22H,9H2,1H3,(H,20,21)
InChIKeySFRWEGGSXYMVFF-UHFFFAOYSA-N
XLogP3.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]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 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol (CID 167901324) is 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol is Cc1ccc(C(O)CNc2cncc(-c3cccs3)n2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol?
The InChIKey is SFRWEGGSXYMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11-4-5-12(7-13(11)18)15(22)9-20-17-10-19-8-14(21-17)16-3-2-6-23-16/h2-8,10,15,22H,9H2,1H3,(H,20,21).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol?
1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol has a molecular weight of 329.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 167901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).