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

C22H19ClN4O4S — CID 55617224

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C22H19ClN4O4S/c23-15-4-6-18(7-5-15)31-12-20-26-17(13-32-20)9-19(28)25-16-3-1-2-14(8-16)11-27-21(29)10-24-22(27)30/h1-8,13H,9-12H2,(H,24,30)(H,25,28)
InChIKeyIFTUANVDHFNDLM-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.61
Rot. Bonds8

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 55617224) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
PubChem CID55617224
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C22H19ClN4O4S/c23-15-4-6-18(7-5-15)31-12-20-26-17(13-32-20)9-19(28)25-16-3-1-2-14(8-16)11-27-21(29)10-24-22(27)30/h1-8,13H,9-12H2,(H,24,30)(H,25,28)
InChIKeyIFTUANVDHFNDLM-UHFFFAOYSA-N
XLogP3.61
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560364
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 46468209
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide
CID 55701045
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
ethyl 4-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 27285649
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (CID 55617224) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is IFTUANVDHFNDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c23-15-4-6-18(7-5-15)31-12-20-26-17(13-32-20)9-19(28)25-16-3-1-2-14(8-16)11-27-21(29)10-24-22(27)30/h1-8,13H,9-12H2,(H,24,30)(H,25,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 470.94 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55617224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).