2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine

C17H18FN3O2S — CID 176701506

IUPAC2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine
SMILESCc1nnc(-c2ccc(F)cc2OCCOCCN)c2sccc12
InChIInChI=1S/C17H18FN3O2S/c1-11-13-4-9-24-17(13)16(21-20-11)14-3-2-12(18)10-15(14)23-8-7-22-6-5-19/h2-4,9-10H,5-8,19H2,1H3
InChIKeyVUZUENZQQUWSBP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.16
Rot. Bonds7

About 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine

2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine (PubChem CID 176701506) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine
PubChem CID176701506
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine
SMILESCc1nnc(-c2ccc(F)cc2OCCOCCN)c2sccc12
InChIInChI=1S/C17H18FN3O2S/c1-11-13-4-9-24-17(13)16(21-20-11)14-3-2-12(18)10-15(14)23-8-7-22-6-5-19/h2-4,9-10H,5-8,19H2,1H3
InChIKeyVUZUENZQQUWSBP-UHFFFAOYSA-N
XLogP3.16
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine 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-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine (CID 176701506) is 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine is Cc1nnc(-c2ccc(F)cc2OCCOCCN)c2sccc12.
What is the InChIKey of 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine?
The InChIKey is VUZUENZQQUWSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-11-13-4-9-24-17(13)16(21-20-11)14-3-2-12(18)10-15(14)23-8-7-22-6-5-19/h2-4,9-10H,5-8,19H2,1H3.
What are the key properties of 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine?
2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine has a molecular weight of 347.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-fluoro-2-(4-methylthieno[2,3-d]pyridazin-7-yl)phenoxy]ethoxy]ethanamine is sourced from PubChem (CID 176701506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).