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

C15H12N2O3S3 — CID 75995601

IUPAC5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(C=C3NC(=S)NC3=O)s2)cc1
InChIInChI=1S/C15H12N2O3S3/c1-23(19,20)11-5-2-9(3-6-11)13-7-4-10(22-13)8-12-14(18)17-15(21)16-12/h2-8H,1H3,(H2,16,17,18,21)
InChIKeyLSAATOAIMHPTGE-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.16
Rot. Bonds3

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

5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 75995601) has the molecular formula C15H12N2O3S3 and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID75995601
Molecular FormulaC15H12N2O3S3
Molecular Weight364.47 g/mol
Exact Mass364.00
IUPAC Name5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(C=C3NC(=S)NC3=O)s2)cc1
InChIInChI=1S/C15H12N2O3S3/c1-23(19,20)11-5-2-9(3-6-11)13-7-4-10(22-13)8-12-14(18)17-15(21)16-12/h2-8H,1H3,(H2,16,17,18,21)
InChIKeyLSAATOAIMHPTGE-UHFFFAOYSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261659
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2173721
2,3-dimethyl-5-[5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one
CID 75995723
2-butyl-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one
CID 53262029
(5Z)-5-[(2,6-difluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2463851
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 793193
5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3001895
(5Z)-5-(furan-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 102387545
[2-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-fluorobenzenesulfonate
CID 50871583
(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
CID 25156423
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 75995601) is 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is CS(=O)(=O)c1ccc(-c2ccc(C=C3NC(=S)NC3=O)s2)cc1.
What is the InChIKey of 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LSAATOAIMHPTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S3/c1-23(19,20)11-5-2-9(3-6-11)13-7-4-10(22-13)8-12-14(18)17-15(21)16-12/h2-8H,1H3,(H2,16,17,18,21).
What are the key properties of 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 364.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 75995601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).