2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C7H10N2O3S — CID 137194848

IUPAC2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOCC(=O)/N=C1/NC(=O)CS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyNTIAYNSCMQGPRH-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.23
Rot. Bonds3

About 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 137194848) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID137194848
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOCC(=O)/N=C1/NC(=O)CS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyNTIAYNSCMQGPRH-UHFFFAOYSA-N
XLogP-0.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)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

ethyl 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetate
CID 137163257
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100903
ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate
CID 162666215
2-(aminomethylimino)-1,3-thiazolidin-4-one
CID 173426271
1-butyl-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
CID 173343831
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
CID 172639911
3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
CID 154441871
2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 168575493
methyl 2-[5-bromo-2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetate
CID 168575416

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 137194848) is 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is CCOCC(=O)/N=C1/NC(=O)CS1.
What is the InChIKey of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is NTIAYNSCMQGPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11).
What are the key properties of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 202.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 137194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).