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

C7H10N2O3S — CID 130727550

IUPAC2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC1(C)SC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C7H10N2O3S/c1-7(2)5(11)9(3-4(8)10)6(12)13-7/h3H2,1-2H3,(H2,8,10)
InChIKeyCJCTUPNFOOASRC-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.05
Rot. Bonds2

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

2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 130727550) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID130727550
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC1(C)SC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C7H10N2O3S/c1-7(2)5(11)9(3-4(8)10)6(12)13-7/h3H2,1-2H3,(H2,8,10)
InChIKeyCJCTUPNFOOASRC-UHFFFAOYSA-N
XLogP-0.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (CID 130727550) is 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is CC1(C)SC(=O)N(CC(N)=O)C1=O.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is CJCTUPNFOOASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-7(2)5(11)9(3-4(8)10)6(12)13-7/h3H2,1-2H3,(H2,8,10).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 202.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 130727550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).