2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide

C10H10N4O4S2 — CID 3337421

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Cc1nsc(NC(=O)CC2SC(=O)NC2=O)n1
InChIInChI=1S/C10H10N4O4S2/c1-4(15)2-6-11-9(20-14-6)12-7(16)3-5-8(17)13-10(18)19-5/h5H,2-3H2,1H3,(H,13,17,18)(H,11,12,14,16)
InChIKeyOMJZWZCDTZSBSN-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.35
Rot. Bonds5

About 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 3337421) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID3337421
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Cc1nsc(NC(=O)CC2SC(=O)NC2=O)n1
InChIInChI=1S/C10H10N4O4S2/c1-4(15)2-6-11-9(20-14-6)12-7(16)3-5-8(17)13-10(18)19-5/h5H,2-3H2,1H3,(H,13,17,18)(H,11,12,14,16)
InChIKeyOMJZWZCDTZSBSN-UHFFFAOYSA-N
XLogP0.35
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 3337421) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)Cc1nsc(NC(=O)CC2SC(=O)NC2=O)n1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is OMJZWZCDTZSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c1-4(15)2-6-11-9(20-14-6)12-7(16)3-5-8(17)13-10(18)19-5/h5H,2-3H2,1H3,(H,13,17,18)(H,11,12,14,16).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 3337421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).