2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole

C14H11N3OS — CID 70309269

IUPAC2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole
SMILESCOc1nc2ccccc2nc1/C=C/c1nccs1
InChIInChI=1S/C14H11N3OS/c1-18-14-12(6-7-13-15-8-9-19-13)16-10-4-2-3-5-11(10)17-14/h2-9H,1H3/b7-6+
InChIKeyNLVSZUNUIVTBCC-VOTSOKGWSA-N
MW269.33 g/mol
LogP3.27
Rot. Bonds3

About 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole

2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole (PubChem CID 70309269) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole
PubChem CID70309269
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole
SMILESCOc1nc2ccccc2nc1/C=C/c1nccs1
InChIInChI=1S/C14H11N3OS/c1-18-14-12(6-7-13-15-8-9-19-13)16-10-4-2-3-5-11(10)17-14/h2-9H,1H3/b7-6+
InChIKeyNLVSZUNUIVTBCC-VOTSOKGWSA-N
XLogP3.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole (CID 70309269) is 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole is COc1nc2ccccc2nc1/C=C/c1nccs1.
What is the InChIKey of 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole?
The InChIKey is NLVSZUNUIVTBCC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-18-14-12(6-7-13-15-8-9-19-13)16-10-4-2-3-5-11(10)17-14/h2-9H,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole?
2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole has a molecular weight of 269.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 70309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).