N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide

C7H9N3O5S — CID 108814531

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])NCCN1C(=O)CSC1=O
InChIInChI=1S/C7H9N3O5S/c11-5(3-10(14)15)8-1-2-9-6(12)4-16-7(9)13/h1-4H2,(H,8,11)
InChIKeyGZLRRPFGPQLLMG-UHFFFAOYSA-N
MW247.23 g/mol
LogP-0.93
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide (PubChem CID 108814531) has the molecular formula C7H9N3O5S and a molecular weight of 247.23 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
PubChem CID108814531
Molecular FormulaC7H9N3O5S
Molecular Weight247.23 g/mol
Exact Mass247.03
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])NCCN1C(=O)CSC1=O
InChIInChI=1S/C7H9N3O5S/c11-5(3-10(14)15)8-1-2-9-6(12)4-16-7(9)13/h1-4H2,(H,8,11)
InChIKeyGZLRRPFGPQLLMG-UHFFFAOYSA-N
XLogP-0.93
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide (CID 108814531) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide is O=C(C[N+](=O)[O-])NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide?
The InChIKey is GZLRRPFGPQLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5S/c11-5(3-10(14)15)8-1-2-9-6(12)4-16-7(9)13/h1-4H2,(H,8,11).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide has a molecular weight of 247.23 g/mol, XLogP of -0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide is sourced from PubChem (CID 108814531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).