2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate

C6H10N4O2S — CID 65211623

IUPAC2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCN1C(=O)CNC1=O
InChIInChI=1S/C6H10N4O2S/c7-5(8)13-2-1-10-4(11)3-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12)
InChIKeyQZEOIHJVJUAYAO-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.84
Rot. Bonds3

About 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate

2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate (PubChem CID 65211623) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate
PubChem CID65211623
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCN1C(=O)CNC1=O
InChIInChI=1S/C6H10N4O2S/c7-5(8)13-2-1-10-4(11)3-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12)
InChIKeyQZEOIHJVJUAYAO-UHFFFAOYSA-N
XLogP-0.84
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate (CID 65211623) is 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate is [H]/N=C(\N)SCCN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate?
The InChIKey is QZEOIHJVJUAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c7-5(8)13-2-1-10-4(11)3-9-6(10)12/h1-3H2,(H3,7,8)(H,9,12).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate?
2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate has a molecular weight of 202.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)ethyl carbamimidothioate is sourced from PubChem (CID 65211623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).