5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

C21H21N3O2S2 — CID 84878946

IUPAC5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C2(C)NC(=O)N(Cc3csc(-c4ccsc4)n3)C2=O)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13(2)14-4-6-16(7-5-14)21(3)19(25)24(20(26)23-21)10-17-12-28-18(22-17)15-8-9-27-11-15/h4-9,11-13H,10H2,1-3H3,(H,23,26)
InChIKeyOHPQGRFNNSTWHQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.96
Rot. Bonds5

About 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 84878946) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID84878946
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC Name5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C2(C)NC(=O)N(Cc3csc(-c4ccsc4)n3)C2=O)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13(2)14-4-6-16(7-5-14)21(3)19(25)24(20(26)23-21)10-17-12-28-18(22-17)15-8-9-27-11-15/h4-9,11-13H,10H2,1-3H3,(H,23,26)
InChIKeyOHPQGRFNNSTWHQ-UHFFFAOYSA-N
XLogP4.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.96
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

(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 60514500
5-methyl-5-(4-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 17445557
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 16571185
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 84878946) is 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is CC(C)c1ccc(C2(C)NC(=O)N(Cc3csc(-c4ccsc4)n3)C2=O)cc1.
What is the InChIKey of 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is OHPQGRFNNSTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-13(2)14-4-6-16(7-5-14)21(3)19(25)24(20(26)23-21)10-17-12-28-18(22-17)15-8-9-27-11-15/h4-9,11-13H,10H2,1-3H3,(H,23,26).
What are the key properties of 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 411.55 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 84878946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).