3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide

C19H37N3O5S — CID 23503474

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC
InChIInChI=1S/C19H37N3O5S/c1-20-8-6-4-5-7-9-21(2)19(24)17-15-28-16-22(17)18(23)14-27-13-12-26-11-10-25-3/h17,20H,4-16H2,1-3H3
InChIKeyXBPYESMZIASNDH-UHFFFAOYSA-N
MW419.59 g/mol
LogP0.81
Rot. Bonds16

About 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide

3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 23503474) has the molecular formula C19H37N3O5S and a molecular weight of 419.59 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
PubChem CID23503474
Molecular FormulaC19H37N3O5S
Molecular Weight419.59 g/mol
Exact Mass419.25
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC
InChIInChI=1S/C19H37N3O5S/c1-20-8-6-4-5-7-9-21(2)19(24)17-15-28-16-22(17)18(23)14-27-13-12-26-11-10-25-3/h17,20H,4-16H2,1-3H3
InChIKeyXBPYESMZIASNDH-UHFFFAOYSA-N
XLogP0.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide (CID 23503474) is 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide is CNCCCCCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XBPYESMZIASNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O5S/c1-20-8-6-4-5-7-9-21(2)19(24)17-15-28-16-22(17)18(23)14-27-13-12-26-11-10-25-3/h17,20H,4-16H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 0.81, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23503474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).