2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine

C36H48N2O2S — CID 102046385

IUPAC2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine
SMILESCCCCC(CC)COc1ccc(-c2nc3c(C)sc(C)c3nc2-c2ccc(OCC(CC)CCCC)cc2)cc1
InChIInChI=1S/C36H48N2O2S/c1-7-11-13-27(9-3)23-39-31-19-15-29(16-20-31)35-36(38-34-26(6)41-25(5)33(34)37-35)30-17-21-32(22-18-30)40-24-28(10-4)14-12-8-2/h15-22,27-28H,7-14,23-24H2,1-6H3
InChIKeyRZIACYLKBDJRMI-UHFFFAOYSA-N
MW572.86 g/mol
LogP10.83
Rot. Bonds16

About 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine

2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine (PubChem CID 102046385) has the molecular formula C36H48N2O2S and a molecular weight of 572.86 g/mol. Its IUPAC name is 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine
PubChem CID102046385
Molecular FormulaC36H48N2O2S
Molecular Weight572.86 g/mol
Exact Mass572.34
IUPAC Name2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine
SMILESCCCCC(CC)COc1ccc(-c2nc3c(C)sc(C)c3nc2-c2ccc(OCC(CC)CCCC)cc2)cc1
InChIInChI=1S/C36H48N2O2S/c1-7-11-13-27(9-3)23-39-31-19-15-29(16-20-31)35-36(38-34-26(6)41-25(5)33(34)37-35)30-17-21-32(22-18-30)40-24-28(10-4)14-12-8-2/h15-22,27-28H,7-14,23-24H2,1-6H3
InChIKeyRZIACYLKBDJRMI-UHFFFAOYSA-N
XLogP10.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.86
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine 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

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
6-[4-(2-ethylhexoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 22363294
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
CID 67067487
4-[4,6-bis[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 135563262

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine?
The IUPAC name of 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine (CID 102046385) is 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine is CCCCC(CC)COc1ccc(-c2nc3c(C)sc(C)c3nc2-c2ccc(OCC(CC)CCCC)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine?
The InChIKey is RZIACYLKBDJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O2S/c1-7-11-13-27(9-3)23-39-31-19-15-29(16-20-31)35-36(38-34-26(6)41-25(5)33(34)37-35)30-17-21-32(22-18-30)40-24-28(10-4)14-12-8-2/h15-22,27-28H,7-14,23-24H2,1-6H3.
What are the key properties of 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine?
2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine has a molecular weight of 572.86 g/mol, XLogP of 10.83, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine is sourced from PubChem (CID 102046385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).