[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate

C6H10N4O2S — CID 65211562

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C6H10N4O2S/c7-5(8)13-3-4(11)10-2-1-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12)
InChIKeyXJLBKOLPKNYVIC-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.84
Rot. Bonds2

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate (PubChem CID 65211562) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate
PubChem CID65211562
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C6H10N4O2S/c7-5(8)13-3-4(11)10-2-1-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12)
InChIKeyXJLBKOLPKNYVIC-UHFFFAOYSA-N
XLogP-0.84
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate (CID 65211562) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate is [H]/N=C(\N)SCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate?
The InChIKey is XJLBKOLPKNYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c7-5(8)13-3-4(11)10-2-1-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate has a molecular weight of 202.24 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate is sourced from PubChem (CID 65211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).