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

C21H18FN3O2S — CID 51537328

IUPAC(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1
InChIInChI=1S/C21H18FN3O2S/c1-13-3-7-15(8-4-13)21(2)19(26)25(20(27)24-21)11-17-12-28-18(23-17)14-5-9-16(22)10-6-14/h3-10,12H,11H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyOWQUFBCNXWICFW-NRFANRHFSA-N
MW395.46 g/mol
LogP4.22
Rot. Bonds4

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

(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 51537328) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID51537328
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1
InChIInChI=1S/C21H18FN3O2S/c1-13-3-7-15(8-4-13)21(2)19(26)25(20(27)24-21)11-17-12-28-18(23-17)14-5-9-16(22)10-6-14/h3-10,12H,11H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyOWQUFBCNXWICFW-NRFANRHFSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56522111
5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 84878946
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 24629572
3'-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55327301
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094699
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 60514500
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 51537328) is (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1.
What is the InChIKey of (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is OWQUFBCNXWICFW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-13-3-7-15(8-4-13)21(2)19(26)25(20(27)24-21)11-17-12-28-18(23-17)14-5-9-16(22)10-6-14/h3-10,12H,11H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 395.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51537328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).