3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one

C16H27N3OS — CID 83238183

IUPAC3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCN(CC)CC)C1=O
InChIInChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-9-18(5-2)6-3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3
InChIKeyZNYYDVTYTJMNRD-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds8

About 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one

3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83238183) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83238183
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCN(CC)CC)C1=O
InChIInChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-9-18(5-2)6-3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3
InChIKeyZNYYDVTYTJMNRD-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-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 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83238183) is 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CCN(CC)CC)C1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is ZNYYDVTYTJMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-9-18(5-2)6-3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83238183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).