3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one

C12H16N2O2S2 — CID 113480754

IUPAC3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1C1CCS(=O)CC1
InChIInChI=1S/C12H16N2O2S2/c15-11-8-13-12(10-2-1-5-17-10)14(11)9-3-6-18(16)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2
InChIKeyGEIUTANKTDDEGA-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.09
Rot. Bonds2

About 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one

3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 113480754) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID113480754
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1C1CCS(=O)CC1
InChIInChI=1S/C12H16N2O2S2/c15-11-8-13-12(10-2-1-5-17-10)14(11)9-3-6-18(16)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2
InChIKeyGEIUTANKTDDEGA-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83244118
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83264573
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258963
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666
2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
CID 83267441
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
3-(2-cyclohexylethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83256115
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 113480754) is 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one is O=C1CNC(c2cccs2)N1C1CCS(=O)CC1.
What is the InChIKey of 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is GEIUTANKTDDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c15-11-8-13-12(10-2-1-5-17-10)14(11)9-3-6-18(16)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2.
What are the key properties of 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 284.41 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 113480754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).