ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C17H17N3O4S2 — CID 2484611

IUPACethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C17H17N3O4S2/c1-2-24-16(23)7-11-9-25-17(18-11)26-10-15(22)20-8-14(21)19-12-5-3-4-6-13(12)20/h3-6,9H,2,7-8,10H2,1H3,(H,19,21)
InChIKeyIYCJEALMUFZCIZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.33
Rot. Bonds6

About ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 2484611) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID2484611
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Nameethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C17H17N3O4S2/c1-2-24-16(23)7-11-9-25-17(18-11)26-10-15(22)20-8-14(21)19-12-5-3-4-6-13(12)20/h3-6,9H,2,7-8,10H2,1H3,(H,19,21)
InChIKeyIYCJEALMUFZCIZ-UHFFFAOYSA-N
XLogP2.33
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 2484611) is ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is IYCJEALMUFZCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-2-24-16(23)7-11-9-25-17(18-11)26-10-15(22)20-8-14(21)19-12-5-3-4-6-13(12)20/h3-6,9H,2,7-8,10H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 391.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2484611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).