5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C8H5BrN2OS2 — CID 3005176

IUPAC5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1ccc(Br)s1
InChIInChI=1S/C8H5BrN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)
InChIKeyQYPWTJFZSHMSHJ-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.86
Rot. Bonds1

About 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3005176) has the molecular formula C8H5BrN2OS2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID3005176
Molecular FormulaC8H5BrN2OS2
Molecular Weight289.18 g/mol
Exact Mass287.90
IUPAC Name5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1ccc(Br)s1
InChIInChI=1S/C8H5BrN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)
InChIKeyQYPWTJFZSHMSHJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.86
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-bromophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261714
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(5Z)-5-[(5-bromo-2-thienyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 1202332
(5E)-5-[(4-bromothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1277565
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
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 5468930

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 3005176) is 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1=Cc1ccc(Br)s1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QYPWTJFZSHMSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13).
What are the key properties of 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 289.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3005176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).