[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate

C6H9N3O3S — CID 65211971

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9N3O3S/c7-5(8)13-3-4(10)9-1-2-12-6(9)11/h1-3H2,(H3,7,8)
InChIKeyBKQACQJQYSYNNL-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.41
Rot. Bonds2

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate (PubChem CID 65211971) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate
PubChem CID65211971
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9N3O3S/c7-5(8)13-3-4(10)9-1-2-12-6(9)11/h1-3H2,(H3,7,8)
InChIKeyBKQACQJQYSYNNL-UHFFFAOYSA-N
XLogP-0.41
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate (CID 65211971) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate is [H]/N=C(\N)SCC(=O)N1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate?
The InChIKey is BKQACQJQYSYNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c7-5(8)13-3-4(10)9-1-2-12-6(9)11/h1-3H2,(H3,7,8).
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate has a molecular weight of 203.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate is sourced from PubChem (CID 65211971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).