N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C22H19BrN4O3S — CID 112760869

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3nc(-c4cccc(Br)c4)cs3)C2=O)cc1
InChIInChI=1S/C22H19BrN4O3S/c1-13-6-8-15(9-7-13)22(2)19(29)27(21(30)26-22)11-18(28)25-20-24-17(12-31-20)14-4-3-5-16(23)10-14/h3-10,12H,11H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyGRCNEQXTGHVRJK-UHFFFAOYSA-N
MW499.39 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 112760869) has the molecular formula C22H19BrN4O3S and a molecular weight of 499.39 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID112760869
Molecular FormulaC22H19BrN4O3S
Molecular Weight499.39 g/mol
Exact Mass498.04
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3nc(-c4cccc(Br)c4)cs3)C2=O)cc1
InChIInChI=1S/C22H19BrN4O3S/c1-13-6-8-15(9-7-13)22(2)19(29)27(21(30)26-22)11-18(28)25-20-24-17(12-31-20)14-4-3-5-16(23)10-14/h3-10,12H,11H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyGRCNEQXTGHVRJK-UHFFFAOYSA-N
XLogP4.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2528568
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55332030
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55673240
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042841
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 46629011
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042831
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8569722
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41101263
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43004604
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 112760869) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3nc(-c4cccc(Br)c4)cs3)C2=O)cc1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GRCNEQXTGHVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O3S/c1-13-6-8-15(9-7-13)22(2)19(29)27(21(30)26-22)11-18(28)25-20-24-17(12-31-20)14-4-3-5-16(23)10-14/h3-10,12H,11H2,1-2H3,(H,26,30)(H,24,25,28).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 499.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 112760869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).