(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

C14H9BrN2OS2 — CID 53261714

IUPAC(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H9BrN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
InChIKeyDDERLRYSNWDQIC-YRNVUSSQSA-N
MW365.28 g/mol
LogP3.52
Rot. Bonds2

About (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 53261714) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID53261714
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC Name(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H9BrN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
InChIKeyDDERLRYSNWDQIC-YRNVUSSQSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[5-(4-methylsulfanylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261709
(5E)-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261711
(5E)-5-[[5-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261712
3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzonitrile
CID 53261716
(5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]imidazolidin-4-one
CID 72793029
(5E)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]imidazolidin-4-one
CID 72793028
(5E)-5-[[5-(3-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261713
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone
CID 5468923
5-[[5-[4-(1,1-Difluoroethyl)phenyl]thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 58107863
2-Sulfanylidene-5-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]imidazolidin-4-one
CID 58587048
5-[[5-(4-Fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 75995602

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 53261714) is (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DDERLRYSNWDQIC-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+.
What are the key properties of (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 365.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 53261714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).