(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one

C11H10N2OS — CID 5415543

IUPAC(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2)NC1=S
InChIInChI=1S/C11H10N2OS/c1-13-10(14)9(12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)/b9-7-
InChIKeyUVWHXBYLNTYWLA-CLFYSBASSA-N
MW218.28 g/mol
LogP1.37
Rot. Bonds1

About (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5415543) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5415543
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2)NC1=S
InChIInChI=1S/C11H10N2OS/c1-13-10(14)9(12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)/b9-7-
InChIKeyUVWHXBYLNTYWLA-CLFYSBASSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 5415543) is (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2)NC1=S.
What is the InChIKey of (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UVWHXBYLNTYWLA-CLFYSBASSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-13-10(14)9(12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)/b9-7-.
What are the key properties of (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 218.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).