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

C8H7N3O3S2 — CID 4737173

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1nccs1
InChIInChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-11-6(13)4-16-8(11)14/h1-2H,3-4H2,(H,9,10,12)
InChIKeyDGJJKXCDYOZTKV-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.78
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4737173) has the molecular formula C8H7N3O3S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4737173
Molecular FormulaC8H7N3O3S2
Molecular Weight257.30 g/mol
Exact Mass256.99
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)Nc1nccs1
InChIInChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-11-6(13)4-16-8(11)14/h1-2H,3-4H2,(H,9,10,12)
InChIKeyDGJJKXCDYOZTKV-UHFFFAOYSA-N
XLogP0.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 4737173) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)CSC1=O)Nc1nccs1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DGJJKXCDYOZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-11-6(13)4-16-8(11)14/h1-2H,3-4H2,(H,9,10,12).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4737173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).