4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione

C13H11FN2S2 — CID 151730229

IUPAC4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione
SMILESFc1ccc(C2NC(=S)NC2c2cccs2)cc1
InChIInChI=1S/C13H11FN2S2/c14-9-5-3-8(4-6-9)11-12(16-13(17)15-11)10-2-1-7-18-10/h1-7,11-12H,(H2,15,16,17)
InChIKeyRKKGGYCAKQSERG-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.15
Rot. Bonds2

About 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione

4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione (PubChem CID 151730229) has the molecular formula C13H11FN2S2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione
PubChem CID151730229
Molecular FormulaC13H11FN2S2
Molecular Weight278.38 g/mol
Exact Mass278.03
IUPAC Name4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione
SMILESFc1ccc(C2NC(=S)NC2c2cccs2)cc1
InChIInChI=1S/C13H11FN2S2/c14-9-5-3-8(4-6-9)11-12(16-13(17)15-11)10-2-1-7-18-10/h1-7,11-12H,(H2,15,16,17)
InChIKeyRKKGGYCAKQSERG-UHFFFAOYSA-N
XLogP3.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.15
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

3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
CID 54525881
[(4R,5S,6S)-6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-thiophen-2-ylmethanone
CID 7221265
ethyl (4S,5R,6R)-4-hydroxy-2-sulfanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 1424989
6-(4-fluorophenyl)-9-thiophen-2-yl-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 5077915
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037
3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 11988427
(4R,4aS,8aS)-4-(4-fluorophenyl)-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidine-2-thione
CID 102297902
5-(4-fluorophenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 663267
3-methyl-2-thiophen-2-ylazetidine
CID 66350314
3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one
CID 2871011
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
CID 134028124
[(4S,5R,6R)-6-(4-chlorophenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-thiophen-2-ylmethanone
CID 99805939

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione (CID 151730229) is 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione is Fc1ccc(C2NC(=S)NC2c2cccs2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione?
The InChIKey is RKKGGYCAKQSERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S2/c14-9-5-3-8(4-6-9)11-12(16-13(17)15-11)10-2-1-7-18-10/h1-7,11-12H,(H2,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione?
4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione has a molecular weight of 278.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione is sourced from PubChem (CID 151730229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).