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

C16H24N2OS2 — CID 83268458

IUPAC5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-4-16(3)14(19)18(11-15(2)7-5-8-21-15)13(17-16)12-6-9-20-10-12/h6,9-10,13,17H,4-5,7-8,11H2,1-3H3
InChIKeyVCWMTWBKRKCNCQ-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.63
Rot. Bonds4

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

5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83268458) has the molecular formula C16H24N2OS2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83268458
Molecular FormulaC16H24N2OS2
Molecular Weight324.51 g/mol
Exact Mass324.13
IUPAC Name5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC2(C)CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-4-16(3)14(19)18(11-15(2)7-5-8-21-15)13(17-16)12-6-9-20-10-12/h6,9-10,13,17H,4-5,7-8,11H2,1-3H3
InChIKeyVCWMTWBKRKCNCQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one with MolForge

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Related Compounds

3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114109735
5-ethyl-3-[(1-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258168
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83268458) is 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(CC2(C)CCCS2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is VCWMTWBKRKCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-4-16(3)14(19)18(11-15(2)7-5-8-21-15)13(17-16)12-6-9-20-10-12/h6,9-10,13,17H,4-5,7-8,11H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 324.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83268458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).