5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione

C9H10N2O2S — CID 57399014

IUPAC5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCc1cc(C2NC(=O)NC2=O)sc1C
InChIInChI=1S/C9H10N2O2S/c1-4-3-6(14-5(4)2)7-8(12)11-9(13)10-7/h3,7H,1-2H3,(H2,10,11,12,13)
InChIKeyLXJOYTOEHMGXTR-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.25
Rot. Bonds1

About 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione

5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 57399014) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione
PubChem CID57399014
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCc1cc(C2NC(=O)NC2=O)sc1C
InChIInChI=1S/C9H10N2O2S/c1-4-3-6(14-5(4)2)7-8(12)11-9(13)10-7/h3,7H,1-2H3,(H2,10,11,12,13)
InChIKeyLXJOYTOEHMGXTR-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
CID 233530
Thiantoin
CID 31325
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3949143
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4266964
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2490637
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 16309160
2-{6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(thiophen-2-yl)methyl]acetamide
CID 16295980
5-(Thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 11084774
2-acetamido-N-benzyl-2-thiophen-2-ylacetamide
CID 14212838

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione (CID 57399014) is 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione is Cc1cc(C2NC(=O)NC2=O)sc1C.
What is the InChIKey of 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is LXJOYTOEHMGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-3-6(14-5(4)2)7-8(12)11-9(13)10-7/h3,7H,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione?
5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione has a molecular weight of 210.26 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylthiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 57399014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).