[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate

C6H11N5O2S — CID 77061012

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate
SMILESNN=C(N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C6H11N5O2S/c7-5(10-8)14-3-4(12)11-2-1-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13)
InChIKeyUZSUEQRSKYHGOB-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.54
Rot. Bonds2

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

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate (PubChem CID 77061012) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate
PubChem CID77061012
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate
SMILESNN=C(N)SCC(=O)N1CCNC1=O
InChIInChI=1S/C6H11N5O2S/c7-5(10-8)14-3-4(12)11-2-1-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13)
InChIKeyUZSUEQRSKYHGOB-UHFFFAOYSA-N
XLogP-1.54
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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': '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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Related Compounds

1-(2-(Methylsulfanyl)acetyl)imidazolidin-2-one
CID 130877596
1-(2-Ethylsulfanylimidazolidin-1-yl)ethanone
CID 175170889
1-[2-(2-Aminoethylsulfanyl)acetyl]imidazolidin-2-one
CID 43249696
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] carbamimidothioate
CID 65211562
2-(2,5-Dioxoimidazolidin-1-yl)ethyl carbamimidothioate
CID 65211623
2-(2-oxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
CID 77060250
[2-(ethylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060893
2-(2,5-dioxoimidazolidin-1-yl)ethyl N'-aminocarbamimidothioate
CID 77061087
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N-(diaminomethylidene)carbamimidothioate
CID 83083006
2-(2,5-dioxoimidazolidin-1-yl)ethyl N-(diaminomethylidene)carbamimidothioate
CID 83083478
1-(Cyanomethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108864890
1-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea
CID 108890481

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate (CID 77061012) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate is NN=C(N)SCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate?
The InChIKey is UZSUEQRSKYHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c7-5(10-8)14-3-4(12)11-2-1-9-6(11)13/h1-3,8H2,(H2,7,10)(H,9,13).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate has a molecular weight of 217.25 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate is sourced from PubChem (CID 77061012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).