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

C15H12FN3O2S — CID 68822728

IUPAC3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC=Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)12-9-22-13(18-12)2-1-7-19-14(20)8-17-15(19)21/h1-6,9H,7-8H2,(H,17,21)
InChIKeyRAEFGCLKOOWDCR-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.51
Rot. Bonds4

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

3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione (PubChem CID 68822728) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione
PubChem CID68822728
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC=Cc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)12-9-22-13(18-12)2-1-7-19-14(20)8-17-15(19)21/h1-6,9H,7-8H2,(H,17,21)
InChIKeyRAEFGCLKOOWDCR-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione (CID 68822728) is 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC=Cc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione?
The InChIKey is RAEFGCLKOOWDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-5-3-10(4-6-11)12-9-22-13(18-12)2-1-7-19-14(20)8-17-15(19)21/h1-6,9H,7-8H2,(H,17,21).
What are the key properties of 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione?
3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68822728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).