[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate

C6H10N4O3S — CID 77060998

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate
SMILESNN=C(N)SCC(=O)N1CCOC1=O
InChIInChI=1S/C6H10N4O3S/c7-5(9-8)14-3-4(11)10-1-2-13-6(10)12/h1-3,8H2,(H2,7,9)
InChIKeyLUZAVKNILRPCCY-UHFFFAOYSA-N
MW218.24 g/mol
LogP-1.11
Rot. Bonds2

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate (PubChem CID 77060998) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate
PubChem CID77060998
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate
SMILESNN=C(N)SCC(=O)N1CCOC1=O
InChIInChI=1S/C6H10N4O3S/c7-5(9-8)14-3-4(11)10-1-2-13-6(10)12/h1-3,8H2,(H2,7,9)
InChIKeyLUZAVKNILRPCCY-UHFFFAOYSA-N
XLogP-1.11
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate (CID 77060998) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate is NN=C(N)SCC(=O)N1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate?
The InChIKey is LUZAVKNILRPCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c7-5(9-8)14-3-4(11)10-1-2-13-6(10)12/h1-3,8H2,(H2,7,9).
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate has a molecular weight of 218.24 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate is sourced from PubChem (CID 77060998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).