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

C9H8N2OS2 — CID 876202

IUPAC(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/NC(=S)NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4+
InChIKeyGIUQZODZUZOYMJ-QPJJXVBHSA-N
MW224.31 g/mol
LogP1.40
Rot. Bonds1

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

(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 876202) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID876202
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2/NC(=S)NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4+
InChIKeyGIUQZODZUZOYMJ-QPJJXVBHSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.40
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

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
3-Ethyl-5-[(5-ethylthien-2-yl)methylene]-1-methyl-2-thioxoimidazolidin-4-one
CID 900275
(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
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 876202) is (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(/C=C2/NC(=S)NC2=O)s1.
What is the InChIKey of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GIUQZODZUZOYMJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4+.
What are the key properties of (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).