2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone

C17H25NO5S — CID 3025458

IUPAC2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCCOCCOCC(=O)N1CCSC1COc1ccccc1OC
InChIInChI=1S/C17H25NO5S/c1-3-21-9-10-22-12-16(19)18-8-11-24-17(18)13-23-15-7-5-4-6-14(15)20-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyHISDPQUWKOTQND-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.03
Rot. Bonds10

About 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone

2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 3025458) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID3025458
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCCOCCOCC(=O)N1CCSC1COc1ccccc1OC
InChIInChI=1S/C17H25NO5S/c1-3-21-9-10-22-12-16(19)18-8-11-24-17(18)13-23-15-7-5-4-6-14(15)20-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyHISDPQUWKOTQND-UHFFFAOYSA-N
XLogP2.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone (CID 3025458) is 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone is CCOCCOCC(=O)N1CCSC1COc1ccccc1OC.
What is the InChIKey of 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is HISDPQUWKOTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-3-21-9-10-22-12-16(19)18-8-11-24-17(18)13-23-15-7-5-4-6-14(15)20-2/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone?
2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 355.46 g/mol, XLogP of 2.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 3025458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).