N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

C25H24N4O3S — CID 24569217

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CN3C(=O)NC4(CCCc5ccccc54)C3=O)n2)c1
InChIInChI=1S/C25H24N4O3S/c1-15-9-10-16(2)18(12-15)20-14-33-23(26-20)27-21(30)13-29-22(31)25(28-24(29)32)11-5-7-17-6-3-4-8-19(17)25/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,28,32)(H,26,27,30)
InChIKeyNNHSSHNVXGORAE-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.15
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 24569217) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID24569217
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CN3C(=O)NC4(CCCc5ccccc54)C3=O)n2)c1
InChIInChI=1S/C25H24N4O3S/c1-15-9-10-16(2)18(12-15)20-14-33-23(26-20)27-21(30)13-29-22(31)25(28-24(29)32)11-5-7-17-6-3-4-8-19(17)25/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,28,32)(H,26,27,30)
InChIKeyNNHSSHNVXGORAE-UHFFFAOYSA-N
XLogP4.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.15
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-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24568991
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24570361
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24569284
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112766229
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18129861
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40745155
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 16559520
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168298
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24575826

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 24569217) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is Cc1ccc(C)c(-c2csc(NC(=O)CN3C(=O)NC4(CCCc5ccccc54)C3=O)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is NNHSSHNVXGORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-15-9-10-16(2)18(12-15)20-14-33-23(26-20)27-21(30)13-29-22(31)25(28-24(29)32)11-5-7-17-6-3-4-8-19(17)25/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,28,32)(H,26,27,30).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 24569217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).