5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione

C12H8FN3O2S — CID 71176846

IUPAC5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2nc(-c3ccc(F)cc3)cs2)N1
InChIInChI=1S/C12H8FN3O2S/c13-7-3-1-6(2-4-7)8-5-19-11(14-8)9-10(17)16-12(18)15-9/h1-5,9H,(H2,15,16,17,18)
InChIKeyBQBOTBVTNGBUBP-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.83
Rot. Bonds2

About 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (PubChem CID 71176846) has the molecular formula C12H8FN3O2S and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
PubChem CID71176846
Molecular FormulaC12H8FN3O2S
Molecular Weight277.28 g/mol
Exact Mass277.03
IUPAC Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2nc(-c3ccc(F)cc3)cs2)N1
InChIInChI=1S/C12H8FN3O2S/c13-7-3-1-6(2-4-7)8-5-19-11(14-8)9-10(17)16-12(18)15-9/h1-5,9H,(H2,15,16,17,18)
InChIKeyBQBOTBVTNGBUBP-UHFFFAOYSA-N
XLogP1.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (CID 71176846) is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2nc(-c3ccc(F)cc3)cs2)N1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is BQBOTBVTNGBUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2S/c13-7-3-1-6(2-4-7)8-5-19-11(14-8)9-10(17)16-12(18)15-9/h1-5,9H,(H2,15,16,17,18).
What are the key properties of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71176846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).