1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one

C19H16N4O2S — CID 90287407

IUPAC1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1nc2cscc2nc1C#Cc1ccccc1
InChIInChI=1S/C19H16N4O2S/c24-19-20-8-9-23(19)10-11-25-18-15(7-6-14-4-2-1-3-5-14)21-16-12-26-13-17(16)22-18/h1-5,12-13H,8-11H2,(H,20,24)
InChIKeyMGEFNQBJNSTJDC-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one

1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one (PubChem CID 90287407) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one
PubChem CID90287407
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1nc2cscc2nc1C#Cc1ccccc1
InChIInChI=1S/C19H16N4O2S/c24-19-20-8-9-23(19)10-11-25-18-15(7-6-14-4-2-1-3-5-14)21-16-12-26-13-17(16)22-18/h1-5,12-13H,8-11H2,(H,20,24)
InChIKeyMGEFNQBJNSTJDC-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one (CID 90287407) is 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one is O=C1NCCN1CCOc1nc2cscc2nc1C#Cc1ccccc1.
What is the InChIKey of 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one?
The InChIKey is MGEFNQBJNSTJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-19-20-8-9-23(19)10-11-25-18-15(7-6-14-4-2-1-3-5-14)21-16-12-26-13-17(16)22-18/h1-5,12-13H,8-11H2,(H,20,24).
What are the key properties of 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one?
1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one has a molecular weight of 364.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-phenylethynyl)thieno[3,4-b]pyrazin-3-yl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 90287407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).