[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate

C6H13N5O2S — CID 77060893

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
SMILESCCNC(=O)NC(=O)CSC(N)=NN
InChIInChI=1S/C6H13N5O2S/c1-2-9-6(13)10-4(12)3-14-5(7)11-8/h2-3,8H2,1H3,(H2,7,11)(H2,9,10,12,13)
InChIKeyATCYIGLRSSDZOI-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.25
Rot. Bonds3

About [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate

[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate (PubChem CID 77060893) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
PubChem CID77060893
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
SMILESCCNC(=O)NC(=O)CSC(N)=NN
InChIInChI=1S/C6H13N5O2S/c1-2-9-6(13)10-4(12)3-14-5(7)11-8/h2-3,8H2,1H3,(H2,7,11)(H2,9,10,12,13)
InChIKeyATCYIGLRSSDZOI-UHFFFAOYSA-N
XLogP-1.25
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate 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-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate (CID 77060893) is [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate is CCNC(=O)NC(=O)CSC(N)=NN.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate?
The InChIKey is ATCYIGLRSSDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-2-9-6(13)10-4(12)3-14-5(7)11-8/h2-3,8H2,1H3,(H2,7,11)(H2,9,10,12,13).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate?
[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate has a molecular weight of 219.27 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate is sourced from PubChem (CID 77060893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).