3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C21H18FN3O3S — CID 16624139

IUPAC3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2csc(COc3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C21H18FN3O3S/c1-21(14-5-3-2-4-6-14)19(26)25(20(27)24-21)11-16-13-29-18(23-16)12-28-17-9-7-15(22)8-10-17/h2-10,13H,11-12H2,1H3,(H,24,27)
InChIKeyWXFAKQRJGGOZPB-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.83
Rot. Bonds6

About 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 16624139) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID16624139
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2csc(COc3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C21H18FN3O3S/c1-21(14-5-3-2-4-6-14)19(26)25(20(27)24-21)11-16-13-29-18(23-16)12-28-17-9-7-15(22)8-10-17/h2-10,13H,11-12H2,1H3,(H,24,27)
InChIKeyWXFAKQRJGGOZPB-UHFFFAOYSA-N
XLogP3.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617037
5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 55733734
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 46516980
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine
CID 166205958
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277787

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 16624139) is 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(Cc2csc(COc3ccc(F)cc3)n2)C1=O.
What is the InChIKey of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WXFAKQRJGGOZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c1-21(14-5-3-2-4-6-14)19(26)25(20(27)24-21)11-16-13-29-18(23-16)12-28-17-9-7-15(22)8-10-17/h2-10,13H,11-12H2,1H3,(H,24,27).
What are the key properties of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 411.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 16624139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).