(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C14H16N2OS — CID 2059155

IUPAC(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)(C)c1ccc(/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(17)16-13(18)15-11/h4-8H,1-3H3,(H2,15,16,17,18)/b11-8-
InChIKeyMCYGLLGUOOAHNF-FLIBITNWSA-N
MW260.36 g/mol
LogP2.33
Rot. Bonds1

About (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2059155) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2059155
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)(C)c1ccc(/C=C2\NC(=S)NC2=O)cc1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(17)16-13(18)15-11/h4-8H,1-3H3,(H2,15,16,17,18)/b11-8-
InChIKeyMCYGLLGUOOAHNF-FLIBITNWSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2059155) is (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is CC(C)(C)c1ccc(/C=C2\NC(=S)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MCYGLLGUOOAHNF-FLIBITNWSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(17)16-13(18)15-11/h4-8H,1-3H3,(H2,15,16,17,18)/b11-8-.
What are the key properties of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2059155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).