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

C23H23N3O4S — CID 24576766

IUPAC3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1=O
InChIInChI=1S/C23H23N3O4S/c1-4-23(16-8-6-5-7-9-16)21(27)26(22(28)25-23)13-17-14-31-20(24-17)15-10-11-18(29-2)19(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,25,28)
InChIKeyIQZQBBNPDFGQIP-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.18
Rot. Bonds7

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

3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 24576766) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID24576766
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1=O
InChIInChI=1S/C23H23N3O4S/c1-4-23(16-8-6-5-7-9-16)21(27)26(22(28)25-23)13-17-14-31-20(24-17)15-10-11-18(29-2)19(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,25,28)
InChIKeyIQZQBBNPDFGQIP-UHFFFAOYSA-N
XLogP4.18
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 55733734
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 17402829
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24593361
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42915613
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
5-ethyl-5-(4-fluorophenyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 55733924

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 24576766) is 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1=O.
What is the InChIKey of 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is IQZQBBNPDFGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-4-23(16-8-6-5-7-9-16)21(27)26(22(28)25-23)13-17-14-31-20(24-17)15-10-11-18(29-2)19(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,25,28).
What are the key properties of 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 437.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 24576766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).