2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine

C20H32N2O8S — CID 25136770

IUPAC2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
SMILESCOCCOCCOCCOc1nc2cscc2nc1OCCOCCOCCOC
InChIInChI=1S/C20H32N2O8S/c1-23-3-5-25-7-9-27-11-13-29-19-20(22-18-16-31-15-17(18)21-19)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3
InChIKeyYCWYBNCQZHVHST-UHFFFAOYSA-N
MW460.55 g/mol
LogP1.81
Rot. Bonds20

About 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine

2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine (PubChem CID 25136770) has the molecular formula C20H32N2O8S and a molecular weight of 460.55 g/mol. Its IUPAC name is 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
PubChem CID25136770
Molecular FormulaC20H32N2O8S
Molecular Weight460.55 g/mol
Exact Mass460.19
IUPAC Name2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
SMILESCOCCOCCOCCOc1nc2cscc2nc1OCCOCCOCCOC
InChIInChI=1S/C20H32N2O8S/c1-23-3-5-25-7-9-27-11-13-29-19-20(22-18-16-31-15-17(18)21-19)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3
InChIKeyYCWYBNCQZHVHST-UHFFFAOYSA-N
XLogP1.81
TPSA99.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene
CID 101062326
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
CID 104560039
2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol
CID 10597000
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
2,3-bis(2-methoxyethoxy)quinoline
CID 140540726
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine?
The IUPAC name of 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine (CID 25136770) is 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine is COCCOCCOCCOc1nc2cscc2nc1OCCOCCOCCOC.
What is the InChIKey of 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine?
The InChIKey is YCWYBNCQZHVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O8S/c1-23-3-5-25-7-9-27-11-13-29-19-20(22-18-16-31-15-17(18)21-19)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine?
2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine has a molecular weight of 460.55 g/mol, XLogP of 1.81, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine is sourced from PubChem (CID 25136770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).