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

C7H12N6O2S — CID 83083006

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(\N=C(N)N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C7H12N6O2S/c8-5(9)12-6(10)16-3-4(14)13-2-1-11-7(13)15/h1-3H2,(H,11,15)(H5,8,9,10,12)
InChIKeySBBMZAZYXABQQS-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.52
Rot. Bonds2

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

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate (PubChem CID 83083006) has the molecular formula C7H12N6O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate
PubChem CID83083006
Molecular FormulaC7H12N6O2S
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(\N=C(N)N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C7H12N6O2S/c8-5(9)12-6(10)16-3-4(14)13-2-1-11-7(13)15/h1-3H2,(H,11,15)(H5,8,9,10,12)
InChIKeySBBMZAZYXABQQS-UHFFFAOYSA-N
XLogP-1.52
TPSA137.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate (CID 83083006) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate is [H]/N=C(\N=C(N)N)SCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate?
The InChIKey is SBBMZAZYXABQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2S/c8-5(9)12-6(10)16-3-4(14)13-2-1-11-7(13)15/h1-3H2,(H,11,15)(H5,8,9,10,12).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate has a molecular weight of 244.28 g/mol, XLogP of -1.52, 2 rotatable bonds, 4 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] N-(diaminomethylidene)carbamimidothioate is sourced from PubChem (CID 83083006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).