2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide

C17H23N3O2S — CID 3157885

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide
SMILESCC/N=C1\SC(CC(=O)NC(C)c2ccccc2)C(=O)N1CC
InChIInChI=1S/C17H23N3O2S/c1-4-18-17-20(5-2)16(22)14(23-17)11-15(21)19-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H,19,21)/b18-17-
InChIKeyAMSMDYHRNCZFJL-ZCXUNETKSA-N
MW333.46 g/mol
LogP2.59
Rot. Bonds6

About 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide (PubChem CID 3157885) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide
PubChem CID3157885
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide
SMILESCC/N=C1\SC(CC(=O)NC(C)c2ccccc2)C(=O)N1CC
InChIInChI=1S/C17H23N3O2S/c1-4-18-17-20(5-2)16(22)14(23-17)11-15(21)19-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H,19,21)/b18-17-
InChIKeyAMSMDYHRNCZFJL-ZCXUNETKSA-N
XLogP2.59
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide 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 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide (CID 3157885) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide is CC/N=C1\SC(CC(=O)NC(C)c2ccccc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is AMSMDYHRNCZFJL-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-18-17-20(5-2)16(22)14(23-17)11-15(21)19-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H,19,21)/b18-17-.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3157885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).