S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate

C18H17N3O3S — CID 54266354

IUPACS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
SMILESNCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S/c19-11-15(22)25-12-21-16(23)18(20-17(21)24,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,24)
InChIKeyRHAMOUWRKLKLJA-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.66
Rot. Bonds5

About S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate

S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate (PubChem CID 54266354) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate.

Molecular Properties

Compound NameS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
PubChem CID54266354
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
SMILESNCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S/c19-11-15(22)25-12-21-16(23)18(20-17(21)24,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,24)
InChIKeyRHAMOUWRKLKLJA-UHFFFAOYSA-N
XLogP1.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate
CID 23467951
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy-oxophosphanium
CID 173376528
[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]-2-oxoethyl]-trimethylazanium
CID 54027160
N-[4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-2-pyridin-4-ylacetamide
CID 70826266
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
CID 75425557
benzyl 4-[5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoyl]piperazine-1-carboxylate
CID 19975176

Frequently Asked Questions

What is the IUPAC name of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate?
The IUPAC name of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate (CID 54266354) is S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate.
What is the SMILES notation for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate?
The canonical SMILES for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate is NCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate?
The InChIKey is RHAMOUWRKLKLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-11-15(22)25-12-21-16(23)18(20-17(21)24,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,24).
What are the key properties of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate?
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate has a molecular weight of 355.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate is sourced from PubChem (CID 54266354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).