2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide

C13H14N2O3S — CID 3157630

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-9-3-5-10(6-4-9)14-11(16)7-15-12(17)8-19-13(15)18/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyJEDHTPUBUPWRFT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.88
Rot. Bonds4

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 3157630) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide
PubChem CID3157630
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-9-3-5-10(6-4-9)14-11(16)7-15-12(17)8-19-13(15)18/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyJEDHTPUBUPWRFT-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-{[4-(Dimethylamino)phenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1641793
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione
CID 2329349
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 8158736
7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 17433026
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
3-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10664387
3-[4-(4-m-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10759099

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide (CID 3157630) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is JEDHTPUBUPWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-9-3-5-10(6-4-9)14-11(16)7-15-12(17)8-19-13(15)18/h3-6H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3157630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).