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

C21H15Cl2FN4O3S — CID 43042831

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O
InChIInChI=1S/C21H15Cl2FN4O3S/c1-21(11-2-5-13(24)6-3-11)18(30)28(20(31)27-21)9-17(29)26-19-25-16(10-32-19)14-7-4-12(22)8-15(14)23/h2-8,10H,9H2,1H3,(H,27,31)(H,25,26,29)
InChIKeyDQYSPCOJADFDIL-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.66
Rot. Bonds5

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

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 43042831) has the molecular formula C21H15Cl2FN4O3S and a molecular weight of 493.35 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID43042831
Molecular FormulaC21H15Cl2FN4O3S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O
InChIInChI=1S/C21H15Cl2FN4O3S/c1-21(11-2-5-13(24)6-3-11)18(30)28(20(31)27-21)9-17(29)26-19-25-16(10-32-19)14-7-4-12(22)8-15(14)23/h2-8,10H,9H2,1H3,(H,27,31)(H,25,26,29)
InChIKeyDQYSPCOJADFDIL-UHFFFAOYSA-N
XLogP4.66
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.66
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

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-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55673240
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 30550988
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2528568
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112760869
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22194453
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55332030
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 43042831) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DQYSPCOJADFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN4O3S/c1-21(11-2-5-13(24)6-3-11)18(30)28(20(31)27-21)9-17(29)26-19-25-16(10-32-19)14-7-4-12(22)8-15(14)23/h2-8,10H,9H2,1H3,(H,27,31)(H,25,26,29).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 493.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 43042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).