N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

C12H24N2O2S — CID 54873117

IUPACN-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CSCN1
InChIInChI=1S/C12H24N2O2S/c1-2-3-4-5-6-14(7-8-15)12(16)11-9-17-10-13-11/h11,13,15H,2-10H2,1H3
InChIKeyIHNMOXHGWSXDGD-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.05
Rot. Bonds8

About N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54873117) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54873117
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CSCN1
InChIInChI=1S/C12H24N2O2S/c1-2-3-4-5-6-14(7-8-15)12(16)11-9-17-10-13-11/h11,13,15H,2-10H2,1H3
InChIKeyIHNMOXHGWSXDGD-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexyl-N-(2-hydroxyethyl)-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-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (CID 54873117) is N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is CCCCCCN(CCO)C(=O)C1CSCN1.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IHNMOXHGWSXDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-3-4-5-6-14(7-8-15)12(16)11-9-17-10-13-11/h11,13,15H,2-10H2,1H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54873117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).