(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

C13H12N2OS — CID 6383873

IUPAC(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCC(/C=C1\NC(=S)NC1=O)=C\c1ccccc1
InChIInChI=1S/C13H12N2OS/c1-9(7-10-5-3-2-4-6-10)8-11-12(16)15-13(17)14-11/h2-8H,1H3,(H2,14,15,16,17)/b9-7+,11-8-
InChIKeyOPQKJTOYYQZONP-BGZVTZOUSA-N
MW244.32 g/mol
LogP1.98
Rot. Bonds2

About (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6383873) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID6383873
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCC(/C=C1\NC(=S)NC1=O)=C\c1ccccc1
InChIInChI=1S/C13H12N2OS/c1-9(7-10-5-3-2-4-6-10)8-11-12(16)15-13(17)14-11/h2-8H,1H3,(H2,14,15,16,17)/b9-7+,11-8-
InChIKeyOPQKJTOYYQZONP-BGZVTZOUSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.98
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-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one (CID 6383873) is (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is CC(/C=C1\NC(=S)NC1=O)=C\c1ccccc1.
What is the InChIKey of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OPQKJTOYYQZONP-BGZVTZOUSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9(7-10-5-3-2-4-6-10)8-11-12(16)15-13(17)14-11/h2-8H,1H3,(H2,14,15,16,17)/b9-7+,11-8-.
What are the key properties of (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 244.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6383873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).