[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium

C8H8N3O4S+ — CID 144680231

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnc(N2C(=O)CCC2=O)s1
InChIInChI=1S/C8H8N3O4S/c1-15-11(14)7-4-9-8(16-7)10-5(12)2-3-6(10)13/h4H,2-3H2,1H3/q+1
InChIKeyXZGRAHSKWKQSSM-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.77
Rot. Bonds3

About [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium

[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium (PubChem CID 144680231) has the molecular formula C8H8N3O4S+ and a molecular weight of 242.24 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium
PubChem CID144680231
Molecular FormulaC8H8N3O4S+
Molecular Weight242.24 g/mol
Exact Mass242.02
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnc(N2C(=O)CCC2=O)s1
InChIInChI=1S/C8H8N3O4S/c1-15-11(14)7-4-9-8(16-7)10-5(12)2-3-6(10)13/h4H,2-3H2,1H3/q+1
InChIKeyXZGRAHSKWKQSSM-UHFFFAOYSA-N
XLogP0.77
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium (CID 144680231) is [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium is CO[N+](=O)c1cnc(N2C(=O)CCC2=O)s1.
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium?
The InChIKey is XZGRAHSKWKQSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O4S/c1-15-11(14)7-4-9-8(16-7)10-5(12)2-3-6(10)13/h4H,2-3H2,1H3/q+1.
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium?
[2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium has a molecular weight of 242.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-methoxy-oxoazanium is sourced from PubChem (CID 144680231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).