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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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).