4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane

C21H20N2O2S — CID 143171722

IUPAC4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane
SMILESCC.Nc1ccc(Oc2ccnc3cc(-c4ccc(O)cc4)sc23)cc1
InChIInChI=1S/C19H14N2O2S.C2H6/c20-13-3-7-15(8-4-13)23-17-9-10-21-16-11-18(24-19(16)17)12-1-5-14(22)6-2-12;1-2/h1-11,22H,20H2;1-2H3
InChIKeyHPUUOQBATFDCLD-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.07
Rot. Bonds3

About 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane

4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane (PubChem CID 143171722) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane.

Molecular Properties

Compound Name4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane
PubChem CID143171722
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane
SMILESCC.Nc1ccc(Oc2ccnc3cc(-c4ccc(O)cc4)sc23)cc1
InChIInChI=1S/C19H14N2O2S.C2H6/c20-13-3-7-15(8-4-13)23-17-9-10-21-16-11-18(24-19(16)17)12-1-5-14(22)6-2-12;1-2/h1-11,22H,20H2;1-2H3
InChIKeyHPUUOQBATFDCLD-UHFFFAOYSA-N
XLogP6.07
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane with MolForge

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

Launch Full Analysis

Related Compounds

7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine
CID 59424420
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
4-(2,4-diaminophenoxy)phenol
CID 19971372
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
CID 141137493
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
tert-butyl N-[[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate
CID 58207719
N-[4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-(4-methylphenyl)phthalazin-1-amine
CID 68748384
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane?
The IUPAC name of 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane (CID 143171722) is 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane.
What is the SMILES notation for 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane?
The canonical SMILES for 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane is CC.Nc1ccc(Oc2ccnc3cc(-c4ccc(O)cc4)sc23)cc1.
What is the InChIKey of 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane?
The InChIKey is HPUUOQBATFDCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S.C2H6/c20-13-3-7-15(8-4-13)23-17-9-10-21-16-11-18(24-19(16)17)12-1-5-14(22)6-2-12;1-2/h1-11,22H,20H2;1-2H3.
What are the key properties of 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane?
4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane has a molecular weight of 364.47 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane is sourced from PubChem (CID 143171722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).