2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate

C6H11N5O2S — CID 77061087

IUPAC2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1C(=O)CNC1=O
InChIInChI=1S/C6H11N5O2S/c7-5(10-8)14-2-1-11-4(12)3-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13)
InChIKeyKWUWEVCOALNCFQ-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.54
Rot. Bonds3

About 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate

2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate (PubChem CID 77061087) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
PubChem CID77061087
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1C(=O)CNC1=O
InChIInChI=1S/C6H11N5O2S/c7-5(10-8)14-2-1-11-4(12)3-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13)
InChIKeyKWUWEVCOALNCFQ-UHFFFAOYSA-N
XLogP-1.54
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate (CID 77061087) is 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate is NN=C(N)SCCN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The InChIKey is KWUWEVCOALNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c7-5(10-8)14-2-1-11-4(12)3-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate has a molecular weight of 217.25 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate is sourced from PubChem (CID 77061087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).