(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione

C16H14N2O3S — CID 126199492

IUPAC(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(Sc2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-10-3-6-12(7-4-10)22-14-8-5-11(21-14)9-13-15(19)18(2)16(20)17-13/h3-9H,1-2H3,(H,17,20)/b13-9+
InChIKeyIBGXPGHOYKZEPE-UKTHLTGXSA-N
MW314.37 g/mol
LogP3.26
Rot. Bonds3

About (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126199492) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID126199492
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(Sc2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-10-3-6-12(7-4-10)22-14-8-5-11(21-14)9-13-15(19)18(2)16(20)17-13/h3-9H,1-2H3,(H,17,20)/b13-9+
InChIKeyIBGXPGHOYKZEPE-UKTHLTGXSA-N
XLogP3.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198904
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253792
1,3-dimethyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3705921
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239214
2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126199485
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 92963130
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130811
(5E)-3-(2-methoxyethyl)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126140538
(5E)-1-(3-chloro-2-methylphenyl)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126253729
(5E)-1-methyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333781
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2190759

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione (CID 126199492) is (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione is Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1.
What is the InChIKey of (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is IBGXPGHOYKZEPE-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-3-6-12(7-4-10)22-14-8-5-11(21-14)9-13-15(19)18(2)16(20)17-13/h3-9H,1-2H3,(H,17,20)/b13-9+.
What are the key properties of (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 314.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126199492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).