3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

C12H15N3OS — CID 22949183

IUPAC3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(N2C(=O)C(C)(C)NC2=S)cc(C)n1
InChIInChI=1S/C12H15N3OS/c1-7-5-9(6-8(2)13-7)15-10(16)12(3,4)14-11(15)17/h5-6H,1-4H3,(H,14,17)
InChIKeyULLYGMHAKKNOEH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.70
Rot. Bonds1

About 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 22949183) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID22949183
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(N2C(=O)C(C)(C)NC2=S)cc(C)n1
InChIInChI=1S/C12H15N3OS/c1-7-5-9(6-8(2)13-7)15-10(16)12(3,4)14-11(15)17/h5-6H,1-4H3,(H,14,17)
InChIKeyULLYGMHAKKNOEH-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 22949183) is 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is Cc1cc(N2C(=O)C(C)(C)NC2=S)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ULLYGMHAKKNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-5-9(6-8(2)13-7)15-10(16)12(3,4)14-11(15)17/h5-6H,1-4H3,(H,14,17).
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 249.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 22949183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).