N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C12H21N3O3S — CID 55251316

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C12H21N3O3S/c13-8-1-3-9(4-2-8)18-6-5-14-11(16)10-7-19-12(17)15-10/h8-10H,1-7,13H2,(H,14,16)(H,15,17)
InChIKeyIOIDQQBSRBGWLT-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.21
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 55251316) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID55251316
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C12H21N3O3S/c13-8-1-3-9(4-2-8)18-6-5-14-11(16)10-7-19-12(17)15-10/h8-10H,1-7,13H2,(H,14,16)(H,15,17)
InChIKeyIOIDQQBSRBGWLT-UHFFFAOYSA-N
XLogP0.21
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-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-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 55251316) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide is NC1CCC(OCCNC(=O)C2CSC(=O)N2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is IOIDQQBSRBGWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c13-8-1-3-9(4-2-8)18-6-5-14-11(16)10-7-19-12(17)15-10/h8-10H,1-7,13H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55251316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).