2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

C6H8N2O3S — CID 87738650

IUPAC2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN1C(=O)SC(CC(N)=O)C1=O
InChIInChI=1S/C6H8N2O3S/c1-8-5(10)3(2-4(7)9)12-6(8)11/h3H,2H2,1H3,(H2,7,9)
InChIKeyCDRVIFBNMHRNNV-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.44
Rot. Bonds2

About 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 87738650) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID87738650
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN1C(=O)SC(CC(N)=O)C1=O
InChIInChI=1S/C6H8N2O3S/c1-8-5(10)3(2-4(7)9)12-6(8)11/h3H,2H2,1H3,(H2,7,9)
InChIKeyCDRVIFBNMHRNNV-UHFFFAOYSA-N
XLogP-0.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.44
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

S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
3-[Amino(fluoro)methyl]sulfanyl-1-propylpyrrolidine-2,5-dione
CID 132215110
3-(2-Aminoethyl)-5-ethyl-2,4-thiazolidinedione hydrobromide
CID 129799565
2-(2,3-dimethyl-4-oxo-1,3-thiazolidin-5-yl)-N-hydroxyacetamide
CID 21303104
3-Ethylsulfanyl-1-methylpyrrolidine-2,5-dione
CID 22894547
3-(2-Aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione
CID 43638415
1-(2-Aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione
CID 54511614
1-Ethyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 57836645
1-(2-Deuterioethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58114259
1-(Aminomethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58481320

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (CID 87738650) is 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is CN1C(=O)SC(CC(N)=O)C1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is CDRVIFBNMHRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-8-5(10)3(2-4(7)9)12-6(8)11/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 188.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 87738650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).