2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate

C6H13N5OS — CID 77060250

IUPAC2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1CCNC1=O
InChIInChI=1S/C6H13N5OS/c7-5(10-8)13-4-3-11-2-1-9-6(11)12/h1-4,8H2,(H2,7,10)(H,9,12)
InChIKeyOJNPVBOZFMHBSQ-UHFFFAOYSA-N
MW203.27 g/mol
LogP-1.07
Rot. Bonds3

About 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate

2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate (PubChem CID 77060250) has the molecular formula C6H13N5OS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
PubChem CID77060250
Molecular FormulaC6H13N5OS
Molecular Weight203.27 g/mol
Exact Mass203.08
IUPAC Name2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1CCNC1=O
InChIInChI=1S/C6H13N5OS/c7-5(10-8)13-4-3-11-2-1-9-6(11)12/h1-4,8H2,(H2,7,10)(H,9,12)
InChIKeyOJNPVBOZFMHBSQ-UHFFFAOYSA-N
XLogP-1.07
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate (CID 77060250) is 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate is NN=C(N)SCCN1CCNC1=O.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
The InChIKey is OJNPVBOZFMHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5OS/c7-5(10-8)13-4-3-11-2-1-9-6(11)12/h1-4,8H2,(H2,7,10)(H,9,12).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate?
2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate has a molecular weight of 203.27 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate is sourced from PubChem (CID 77060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).