5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

C16H24N2OS2 — CID 83270001

IUPAC5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2cccs2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-3-11(2)14-16(19)18(10-12-6-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3
InChIKeyVXUKDEFVQHUYPE-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.49
Rot. Bonds5

About 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83270001) has the molecular formula C16H24N2OS2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83270001
Molecular FormulaC16H24N2OS2
Molecular Weight324.51 g/mol
Exact Mass324.13
IUPAC Name5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2cccs2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H24N2OS2/c1-3-11(2)14-16(19)18(10-12-6-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3
InChIKeyVXUKDEFVQHUYPE-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83250979
5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 104767703
5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972
5-butan-2-yl-3-(2-methylcyclopropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83254989
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270276
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83270001) is 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is CCC(C)C1NC(c2cccs2)N(CC2CCCS2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is VXUKDEFVQHUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-3-11(2)14-16(19)18(10-12-6-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3.
What are the key properties of 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 324.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83270001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).