(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide

C8H5N3O3S2 — CID 1383948

IUPAC(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(/C=C1/SC(=O)NC1=O)Nc1nccs1
InChIInChI=1S/C8H5N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-3H,(H,9,10,12)(H,11,13,14)/b4-3+
InChIKeyUGKZKKXPJXYVON-ONEGZZNKSA-N
MW255.28 g/mol
LogP0.95
Rot. Bonds2

About (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide

(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1383948) has the molecular formula C8H5N3O3S2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1383948
Molecular FormulaC8H5N3O3S2
Molecular Weight255.28 g/mol
Exact Mass254.98
IUPAC Name(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(/C=C1/SC(=O)NC1=O)Nc1nccs1
InChIInChI=1S/C8H5N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-3H,(H,9,10,12)(H,11,13,14)/b4-3+
InChIKeyUGKZKKXPJXYVON-ONEGZZNKSA-N
XLogP0.95
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide (CID 1383948) is (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide is O=C(/C=C1/SC(=O)NC1=O)Nc1nccs1.
What is the InChIKey of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UGKZKKXPJXYVON-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H5N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-3H,(H,9,10,12)(H,11,13,14)/b4-3+.
What are the key properties of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1383948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).