1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide

C13H16FN3O2S — CID 134794810

IUPAC1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCSCCNC(=O)C1CN(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C13H16FN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyUKXBOFCWGIVADJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.20
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide

1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 134794810) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID134794810
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCSCCNC(=O)C1CN(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C13H16FN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyUKXBOFCWGIVADJ-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872023
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 9116461
[(2S,4S)-4-Anilinopyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
CID 44422475
3-[(2S,4S)-4-(3-phenylureido)-2-pyrrolidinylcarbonyl]-1,3-thiazolidine
CID 44422498
1-(4-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783214
1-(3-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783218
1-(2-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783219
(5S)-3-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7647239
1-[2-(2-Oxopyrrolidin-1-yl)ethyl]-3-phenylurea
CID 741243

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide (CID 134794810) is 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide is CSCCNC(=O)C1CN(c2ccc(F)cc2)C(=O)N1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UKXBOFCWGIVADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-20-7-6-15-12(18)11-8-17(13(19)16-11)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide?
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 134794810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).