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

C17H33N3O6S — CID 23503503

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCOCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC
InChIInChI=1S/C17H33N3O6S/c1-18-4-6-24-7-5-19(2)17(22)15-13-27-14-20(15)16(21)12-26-11-10-25-9-8-23-3/h15,18H,4-14H2,1-3H3
InChIKeyJKPPXWNUZPMLQX-UHFFFAOYSA-N
MW407.53 g/mol
LogP-0.74
Rot. Bonds15

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

3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 23503503) has the molecular formula C17H33N3O6S and a molecular weight of 407.53 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID23503503
Molecular FormulaC17H33N3O6S
Molecular Weight407.53 g/mol
Exact Mass407.21
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCOCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC
InChIInChI=1S/C17H33N3O6S/c1-18-4-6-24-7-5-19(2)17(22)15-13-27-14-20(15)16(21)12-26-11-10-25-9-8-23-3/h15,18H,4-14H2,1-3H3
InChIKeyJKPPXWNUZPMLQX-UHFFFAOYSA-N
XLogP-0.74
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide (CID 23503503) is 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide is CNCCOCCN(C)C(=O)C1CSCN1C(=O)COCCOCCOC.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JKPPXWNUZPMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O6S/c1-18-4-6-24-7-5-19(2)17(22)15-13-27-14-20(15)16(21)12-26-11-10-25-9-8-23-3/h15,18H,4-14H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide?
3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 407.53 g/mol, XLogP of -0.74, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23503503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).