(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione

C8H5BrN2O2S — CID 1277565

IUPAC(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Br)cs2)N1
InChIInChI=1S/C8H5BrN2O2S/c9-4-1-5(14-3-4)2-6-7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)/b6-2+
InChIKeyKSUIFPXNNYQWNI-QHHAFSJGSA-N
MW273.11 g/mol
LogP1.69
Rot. Bonds1

About (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 1277565) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID1277565
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Br)cs2)N1
InChIInChI=1S/C8H5BrN2O2S/c9-4-1-5(14-3-4)2-6-7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)/b6-2+
InChIKeyKSUIFPXNNYQWNI-QHHAFSJGSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
5-((5-Bromo-2-thienyl)methylene)-2-thioxo-4-imidazolidinone
CID 5468923
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949755
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949899
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949904
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56950034
(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 122192375
5-(2-Thenylidene)-2-thioxoimidazolidin-4-one
CID 710212
(5E)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
CID 6307122
2-Sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 2732245
5-[(3-Methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 696737

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 1277565) is (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc(Br)cs2)N1.
What is the InChIKey of (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is KSUIFPXNNYQWNI-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c9-4-1-5(14-3-4)2-6-7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)/b6-2+.
What are the key properties of (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 273.11 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1277565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).