1,3-dithiophen-2-ylimidazolidine-4,5-dione

C11H8N2O2S2 — CID 102080705

IUPAC1,3-dithiophen-2-ylimidazolidine-4,5-dione
SMILESO=C1C(=O)N(c2cccs2)CN1c1cccs1
InChIInChI=1S/C11H8N2O2S2/c14-10-11(15)13(9-4-2-6-17-9)7-12(10)8-3-1-5-16-8/h1-6H,7H2
InChIKeyKOCMCFKUSSXNEH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.15
Rot. Bonds2

About 1,3-dithiophen-2-ylimidazolidine-4,5-dione

1,3-dithiophen-2-ylimidazolidine-4,5-dione (PubChem CID 102080705) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,3-dithiophen-2-ylimidazolidine-4,5-dione.

Molecular Properties

Compound Name1,3-dithiophen-2-ylimidazolidine-4,5-dione
PubChem CID102080705
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name1,3-dithiophen-2-ylimidazolidine-4,5-dione
SMILESO=C1C(=O)N(c2cccs2)CN1c1cccs1
InChIInChI=1S/C11H8N2O2S2/c14-10-11(15)13(9-4-2-6-17-9)7-12(10)8-3-1-5-16-8/h1-6H,7H2
InChIKeyKOCMCFKUSSXNEH-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thienylimidazolidinedione
CID 20299821
3-Thiophen-2-ylimidazolidine-2,4-dione
CID 102035525
(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 102035527
1-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 130904490
(5S)-5-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 131070623
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
CID 134856919
2-Thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 16660250
5-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660255
1-Thiophen-2-yl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 57718351
2-Sulfanylidene-1-thiophen-2-ylimidazolidin-4-one
CID 88510083
N',N'-dithiophen-2-yloxamide
CID 175222519
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one
CID 37266255

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiophen-2-ylimidazolidine-4,5-dione?
The IUPAC name of 1,3-dithiophen-2-ylimidazolidine-4,5-dione (CID 102080705) is 1,3-dithiophen-2-ylimidazolidine-4,5-dione.
What is the SMILES notation for 1,3-dithiophen-2-ylimidazolidine-4,5-dione?
The canonical SMILES for 1,3-dithiophen-2-ylimidazolidine-4,5-dione is O=C1C(=O)N(c2cccs2)CN1c1cccs1.
What is the InChIKey of 1,3-dithiophen-2-ylimidazolidine-4,5-dione?
The InChIKey is KOCMCFKUSSXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c14-10-11(15)13(9-4-2-6-17-9)7-12(10)8-3-1-5-16-8/h1-6H,7H2.
What are the key properties of 1,3-dithiophen-2-ylimidazolidine-4,5-dione?
1,3-dithiophen-2-ylimidazolidine-4,5-dione has a molecular weight of 264.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiophen-2-ylimidazolidine-4,5-dione is sourced from PubChem (CID 102080705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).