2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide

C9H9N3O3S2 — CID 3464513

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)C1SC(=O)NC1=O
InChIInChI=1S/C9H9N3O3S2/c1-4(5-7(14)12-9(15)17-5)6(13)11-8-10-2-3-16-8/h2-5H,1H3,(H,10,11,13)(H,12,14,15)
InChIKeyUZIAJDIRXXUBQB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.07
Rot. Bonds3

About 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3464513) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3464513
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)C1SC(=O)NC1=O
InChIInChI=1S/C9H9N3O3S2/c1-4(5-7(14)12-9(15)17-5)6(13)11-8-10-2-3-16-8/h2-5H,1H3,(H,10,11,13)(H,12,14,15)
InChIKeyUZIAJDIRXXUBQB-UHFFFAOYSA-N
XLogP1.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
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-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 3464513) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)C1SC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UZIAJDIRXXUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c1-4(5-7(14)12-9(15)17-5)6(13)11-8-10-2-3-16-8/h2-5H,1H3,(H,10,11,13)(H,12,14,15).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3464513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).