N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide

C16H31N3O5S — CID 10110148

IUPACN-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCN
InChIInChI=1S/C16H31N3O5S/c1-22-7-8-23-9-10-24-11-15(20)19-13-25-12-14(19)16(21)18-6-4-2-3-5-17/h14H,2-13,17H2,1H3,(H,18,21)
InChIKeyMTOZCCZRHKDRCS-UHFFFAOYSA-N
MW377.51 g/mol
LogP-0.19
Rot. Bonds14

About N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide

N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10110148) has the molecular formula C16H31N3O5S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10110148
Molecular FormulaC16H31N3O5S
Molecular Weight377.51 g/mol
Exact Mass377.20
IUPAC NameN-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCN
InChIInChI=1S/C16H31N3O5S/c1-22-7-8-23-9-10-24-11-15(20)19-13-25-12-14(19)16(21)18-6-4-2-3-5-17/h14H,2-13,17H2,1H3,(H,18,21)
InChIKeyMTOZCCZRHKDRCS-UHFFFAOYSA-N
XLogP-0.19
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide (CID 10110148) is N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is COCCOCCOCC(=O)N1CSCC1C(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MTOZCCZRHKDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O5S/c1-22-7-8-23-9-10-24-11-15(20)19-13-25-12-14(19)16(21)18-6-4-2-3-5-17/h14H,2-13,17H2,1H3,(H,18,21).
What are the key properties of N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide?
N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.51 g/mol, XLogP of -0.19, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10110148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).