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

C17H33N3O5S — CID 10293870

IUPACN-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCN
InChIInChI=1S/C17H33N3O5S/c1-23-8-9-24-10-11-25-12-16(21)20-14-26-13-15(20)17(22)19-7-5-3-2-4-6-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyCSCBIDJLUHSZGE-UHFFFAOYSA-N
MW391.53 g/mol
LogP0.20
Rot. Bonds15

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

N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10293870) has the molecular formula C17H33N3O5S and a molecular weight of 391.53 g/mol. Its IUPAC name is N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10293870
Molecular FormulaC17H33N3O5S
Molecular Weight391.53 g/mol
Exact Mass391.21
IUPAC NameN-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCN
InChIInChI=1S/C17H33N3O5S/c1-23-8-9-24-10-11-25-12-16(21)20-14-26-13-15(20)17(22)19-7-5-3-2-4-6-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyCSCBIDJLUHSZGE-UHFFFAOYSA-N
XLogP0.20
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 50.20
H-Bond Donors ≤ 52
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 N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (CID 10293870) is N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is COCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CSCBIDJLUHSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5S/c1-23-8-9-24-10-11-25-12-16(21)20-14-26-13-15(20)17(22)19-7-5-3-2-4-6-18/h15H,2-14,18H2,1H3,(H,19,22).
What are the key properties of N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 391.53 g/mol, XLogP of 0.20, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10293870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).