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

C20H19N3O5S — CID 51116154

IUPAC3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccco4)C3=O)cs2)c1OC
InChIInChI=1S/C20H19N3O5S/c1-20(15-8-5-9-28-15)18(24)23(19(25)22-20)10-12-11-29-17(21-12)13-6-4-7-14(26-2)16(13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyAYZXGAXKCNSJGZ-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.39
Rot. Bonds6

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

3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 51116154) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID51116154
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccco4)C3=O)cs2)c1OC
InChIInChI=1S/C20H19N3O5S/c1-20(15-8-5-9-28-15)18(24)23(19(25)22-20)10-12-11-29-17(21-12)13-6-4-7-14(26-2)16(13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyAYZXGAXKCNSJGZ-UHFFFAOYSA-N
XLogP3.39
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 125419949
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16612121
5-(2,5-difluorophenyl)-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55529112
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 51116154) is 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is COc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccco4)C3=O)cs2)c1OC.
What is the InChIKey of 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is AYZXGAXKCNSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-20(15-8-5-9-28-15)18(24)23(19(25)22-20)10-12-11-29-17(21-12)13-6-4-7-14(26-2)16(13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25).
What are the key properties of 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 413.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51116154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).