N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide

C18H35N3O5S — CID 10272663

IUPACN-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCCN
InChIInChI=1S/C18H35N3O5S/c1-24-9-10-25-11-12-26-13-17(22)21-15-27-14-16(21)18(23)20-8-6-4-2-3-5-7-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeyPTONPHHSGJEUJF-UHFFFAOYSA-N
MW405.56 g/mol
LogP0.59
Rot. Bonds16

About N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide

N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10272663) has the molecular formula C18H35N3O5S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10272663
Molecular FormulaC18H35N3O5S
Molecular Weight405.56 g/mol
Exact Mass405.23
IUPAC NameN-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCCN
InChIInChI=1S/C18H35N3O5S/c1-24-9-10-25-11-12-26-13-17(22)21-15-27-14-16(21)18(23)20-8-6-4-2-3-5-7-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeyPTONPHHSGJEUJF-UHFFFAOYSA-N
XLogP0.59
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 50.59
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-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (CID 10272663) is N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is COCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCCCN.
What is the InChIKey of N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PTONPHHSGJEUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O5S/c1-24-9-10-25-11-12-26-13-17(22)21-15-27-14-16(21)18(23)20-8-6-4-2-3-5-7-19/h16H,2-15,19H2,1H3,(H,20,23).
What are the key properties of N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 405.56 g/mol, XLogP of 0.59, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).