5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

C15H22N2OS2 — CID 83270283

IUPAC5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC2CCCCS2)C1=O
InChIInChI=1S/C15H22N2OS2/c1-2-12-15(18)17(10-11-6-3-4-8-19-11)14(16-12)13-7-5-9-20-13/h5,7,9,11-12,14,16H,2-4,6,8,10H2,1H3
InChIKeyHRYZVYCTPLBJBW-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.24
Rot. Bonds4

About 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83270283) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83270283
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC2CCCCS2)C1=O
InChIInChI=1S/C15H22N2OS2/c1-2-12-15(18)17(10-11-6-3-4-8-19-11)14(16-12)13-7-5-9-20-13/h5,7,9,11-12,14,16H,2-4,6,8,10H2,1H3
InChIKeyHRYZVYCTPLBJBW-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83270283) is 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(CC2CCCCS2)C1=O.
What is the InChIKey of 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is HRYZVYCTPLBJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-2-12-15(18)17(10-11-6-3-4-8-19-11)14(16-12)13-7-5-9-20-13/h5,7,9,11-12,14,16H,2-4,6,8,10H2,1H3.
What are the key properties of 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 310.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83270283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).