5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C10H9FN2OS — CID 82997208

IUPAC5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C2NC(=S)NC2=O)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVQKOPJABAPJNIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.18
Rot. Bonds1

About 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997208) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID82997208
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C2NC(=S)NC2=O)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVQKOPJABAPJNIH-UHFFFAOYSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 105404308
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-sulfanylideneimidazolidin-4-one
CID 82997073
(4S)-4-(3,4-difluorophenyl)-N,N,6-trimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8872201
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
2-amino-4-(4-fluoro-3-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82997241
3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
CID 64521311
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
CID 21082585
ethyl (4S)-4-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8871376

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 82997208) is 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1cc(C2NC(=S)NC2=O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VQKOPJABAPJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).