[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate

C16H14N4O3S — CID 11439286

IUPAC[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(N2C(=O)CNC2=S)cn1)c1ccccc1
InChIInChI=1S/C16H14N4O3S/c1-19(11-5-3-2-4-6-11)16(22)23-13-8-7-12(9-17-13)20-14(21)10-18-15(20)24/h2-9H,10H2,1H3,(H,18,24)
InChIKeyDZNNZVWFOAPWDX-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.94
Rot. Bonds3

About [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate

[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate (PubChem CID 11439286) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate
PubChem CID11439286
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(N2C(=O)CNC2=S)cn1)c1ccccc1
InChIInChI=1S/C16H14N4O3S/c1-19(11-5-3-2-4-6-11)16(22)23-13-8-7-12(9-17-13)20-14(21)10-18-15(20)24/h2-9H,10H2,1H3,(H,18,24)
InChIKeyDZNNZVWFOAPWDX-UHFFFAOYSA-N
XLogP1.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate (CID 11439286) is [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(N2C(=O)CNC2=S)cn1)c1ccccc1.
What is the InChIKey of [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The InChIKey is DZNNZVWFOAPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-19(11-5-3-2-4-6-11)16(22)23-13-8-7-12(9-17-13)20-14(21)10-18-15(20)24/h2-9H,10H2,1H3,(H,18,24).
What are the key properties of [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate?
[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate has a molecular weight of 342.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 11439286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).