3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C16H24N2OS2 — CID 83268306

IUPAC3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-3-6-12-15(19)18(11-16(2)8-5-10-21-16)14(17-12)13-7-4-9-20-13/h4,7,9,12,14,17H,3,5-6,8,10-11H2,1-2H3
InChIKeyLDDXXDVZOODQDU-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.63
Rot. Bonds5

About 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83268306) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83268306
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC Name3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-3-6-12-15(19)18(11-16(2)8-5-10-21-16)14(17-12)13-7-4-9-20-13/h4,7,9,12,14,17H,3,5-6,8,10-11H2,1-2H3
InChIKeyLDDXXDVZOODQDU-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
2-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83270568
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 105421093
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 106021786
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-(1-cyclopentylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83263566
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83268306) is 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(CC2(C)CCCS2)C1=O.
What is the InChIKey of 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is LDDXXDVZOODQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-3-6-12-15(19)18(11-16(2)8-5-10-21-16)14(17-12)13-7-4-9-20-13/h4,7,9,12,14,17H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 324.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83268306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).