3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione

C12H15N3OS2 — CID 59262590

IUPAC3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione
SMILESCC1(c2ccccc2)NC(=S)N(OCCN)C1=S
InChIInChI=1S/C12H15N3OS2/c1-12(9-5-3-2-4-6-9)10(17)15(11(18)14-12)16-8-7-13/h2-6H,7-8,13H2,1H3,(H,14,18)
InChIKeyWBECKOIZIAJWKG-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.31
Rot. Bonds4

About 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione

3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione (PubChem CID 59262590) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione.

Molecular Properties

Compound Name3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione
PubChem CID59262590
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione
SMILESCC1(c2ccccc2)NC(=S)N(OCCN)C1=S
InChIInChI=1S/C12H15N3OS2/c1-12(9-5-3-2-4-6-9)10(17)15(11(18)14-12)16-8-7-13/h2-6H,7-8,13H2,1H3,(H,14,18)
InChIKeyWBECKOIZIAJWKG-UHFFFAOYSA-N
XLogP1.31
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione?
The IUPAC name of 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione (CID 59262590) is 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione.
What is the SMILES notation for 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione?
The canonical SMILES for 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione is CC1(c2ccccc2)NC(=S)N(OCCN)C1=S.
What is the InChIKey of 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione?
The InChIKey is WBECKOIZIAJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-12(9-5-3-2-4-6-9)10(17)15(11(18)14-12)16-8-7-13/h2-6H,7-8,13H2,1H3,(H,14,18).
What are the key properties of 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione?
3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione has a molecular weight of 281.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-5-methyl-5-phenylimidazolidine-2,4-dithione is sourced from PubChem (CID 59262590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).