N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

C14H16N2O5S — CID 43829116

IUPACN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C14H16N2O5S/c1-21-10-4-2-9(3-5-10)16-13(19)11(22-14(16)20)8-12(18)15-6-7-17/h2-5,11,17H,6-8H2,1H3,(H,15,18)
InChIKeyRWTCXCQRXVFXCW-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.76
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 43829116) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID43829116
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C14H16N2O5S/c1-21-10-4-2-9(3-5-10)16-13(19)11(22-14(16)20)8-12(18)15-6-7-17/h2-5,11,17H,6-8H2,1H3,(H,15,18)
InChIKeyRWTCXCQRXVFXCW-UHFFFAOYSA-N
XLogP0.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43863835
2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
CID 43826301
2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43826283
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 43863934
2-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863921
2-hydroxy-5-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863925
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
5-[[2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 43863826
2-[(5R)-3-(4-methoxyphenyl)-4-oxo-2-(2-oxopropylidene)-1,3-thiazolidin-5-yl]acetic acid
CID 7041647
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
5-hydroxy-2-[[2-[3-(3-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863900
2-hydroxy-4-[[2-[3-(3-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863903

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (CID 43829116) is N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RWTCXCQRXVFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-21-10-4-2-9(3-5-10)16-13(19)11(22-14(16)20)8-12(18)15-6-7-17/h2-5,11,17H,6-8H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 43829116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).