5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

C14H26N2OS — CID 83270759

IUPAC5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CCCCS1
InChIInChI=1S/C14H26N2OS/c1-3-7-13-15-12(4-2)14(17)16(13)10-11-8-5-6-9-18-11/h11-13,15H,3-10H2,1-2H3
InChIKeyWBGQYBHZTXVDFC-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.61
Rot. Bonds5

About 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270759) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83270759
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CCCCS1
InChIInChI=1S/C14H26N2OS/c1-3-7-13-15-12(4-2)14(17)16(13)10-11-8-5-6-9-18-11/h11-13,15H,3-10H2,1-2H3
InChIKeyWBGQYBHZTXVDFC-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83270759) is 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CCCC1NC(CC)C(=O)N1CC1CCCCS1.
What is the InChIKey of 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is WBGQYBHZTXVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-7-13-15-12(4-2)14(17)16(13)10-11-8-5-6-9-18-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 270.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).