N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C13H18N4O4S — CID 27532867

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H18N4O4S/c18-9(6-16-8-22-7-10(16)19)15-17-11(20)13(14-12(17)21)4-2-1-3-5-13/h1-8H2,(H,14,21)(H,15,18)
InChIKeyBQZZRLQFJIAJCL-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.19
Rot. Bonds3

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 27532867) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID27532867
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H18N4O4S/c18-9(6-16-8-22-7-10(16)19)15-17-11(20)13(14-12(17)21)4-2-1-3-5-13/h1-8H2,(H,14,21)(H,15,18)
InChIKeyBQZZRLQFJIAJCL-UHFFFAOYSA-N
XLogP-0.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 27532867) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is BQZZRLQFJIAJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c18-9(6-16-8-22-7-10(16)19)15-17-11(20)13(14-12(17)21)4-2-1-3-5-13/h1-8H2,(H,14,21)(H,15,18).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 27532867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).