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

C17H33N3O7S — CID 10295875

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C17H33N3O7S/c1-23-6-7-26-10-11-27-12-16(21)20-14-28-13-15(20)17(22)19-3-5-25-9-8-24-4-2-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyGWIWMCQGWYDTCP-UHFFFAOYSA-N
MW423.53 g/mol
LogP-1.32
Rot. Bonds17

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10295875) has the molecular formula C17H33N3O7S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10295875
Molecular FormulaC17H33N3O7S
Molecular Weight423.53 g/mol
Exact Mass423.20
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C17H33N3O7S/c1-23-6-7-26-10-11-27-12-16(21)20-14-28-13-15(20)17(22)19-3-5-25-9-8-24-4-2-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyGWIWMCQGWYDTCP-UHFFFAOYSA-N
XLogP-1.32
TPSA121.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
CID 56801877
N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
CID 10110148
N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
CID 10272663
N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
CID 10293870
3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
CID 23503474
3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide
CID 23503503
(2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide
CID 58661398
2-amino-N-[2-[2-[2-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 58785832
(2R)-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)propanamide
CID 59602859
(4R)-3-[(2S)-2-[(2-methoxyacetyl)amino]propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 69539871
Ethyl 3-acetyl-4-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methyl-1,3-thiazolidine-2-carboxylate
CID 89508756
ethyl 3-acetyl-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-2-carboxylate
CID 89508757

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (CID 10295875) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is COCCOCCOCC(=O)N1CSCC1C(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GWIWMCQGWYDTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O7S/c1-23-6-7-26-10-11-27-12-16(21)20-14-28-13-15(20)17(22)19-3-5-25-9-8-24-4-2-18/h15H,2-14,18H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 423.53 g/mol, XLogP of -1.32, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10295875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).