5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine

C15H19N3O2S — CID 3005817

IUPAC5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine
SMILESC1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O
InChIInChI=1S/C10H8N2O2S.C5H11N/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7;1-2-4-6-5-3-1/h1-5,13H,(H2,11,12,14,15);6H,1-5H2
InChIKeyKDYCAJZAFGCPTM-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.50
Rot. Bonds1

About 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine

5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine (PubChem CID 3005817) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine
PubChem CID3005817
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine
SMILESC1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O
InChIInChI=1S/C10H8N2O2S.C5H11N/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7;1-2-4-6-5-3-1/h1-5,13H,(H2,11,12,14,15);6H,1-5H2
InChIKeyKDYCAJZAFGCPTM-UHFFFAOYSA-N
XLogP1.50
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine?
The IUPAC name of 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine (CID 3005817) is 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine is C1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine?
The InChIKey is KDYCAJZAFGCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S.C5H11N/c13-8-4-2-1-3-6(8)5-7-9(14)12-10(15)11-7;1-2-4-6-5-3-1/h1-5,13H,(H2,11,12,14,15);6H,1-5H2.
What are the key properties of 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine?
5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine has a molecular weight of 305.40 g/mol, XLogP of 1.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;piperidine is sourced from PubChem (CID 3005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).