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

C22H18BrN3O3S — CID 24684356

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18BrN3O3S/c23-16-3-1-2-15(10-16)22-25-18(13-30-22)11-19(27)24-17-6-4-14(5-7-17)12-26-20(28)8-9-21(26)29/h1-7,10,13H,8-9,11-12H2,(H,24,27)
InChIKeyXQQPGRARQJEAIK-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.40
Rot. Bonds6

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 24684356) has the molecular formula C22H18BrN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
PubChem CID24684356
Molecular FormulaC22H18BrN3O3S
Molecular Weight484.38 g/mol
Exact Mass483.03
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18BrN3O3S/c23-16-3-1-2-15(10-16)22-25-18(13-30-22)11-19(27)24-17-6-4-14(5-7-17)12-26-20(28)8-9-21(26)29/h1-7,10,13H,8-9,11-12H2,(H,24,27)
InChIKeyXQQPGRARQJEAIK-UHFFFAOYSA-N
XLogP4.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46402400
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55812136
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
N-[4-[2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 38333241
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 31959091
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
4-[[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 29139384
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55513472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide (CID 24684356) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide is O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is XQQPGRARQJEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3S/c23-16-3-1-2-15(10-16)22-25-18(13-30-22)11-19(27)24-17-6-4-14(5-7-17)12-26-20(28)8-9-21(26)29/h1-7,10,13H,8-9,11-12H2,(H,24,27).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 484.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 24684356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).