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

C21H17BrN4O3S — CID 24598685

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C21H17BrN4O3S/c22-15-7-5-13(6-8-15)9-16-10-23-20(30-16)25-19(28)17-4-2-1-3-14(17)12-26-18(27)11-24-21(26)29/h1-8,10H,9,11-12H2,(H,24,29)(H,23,25,28)
InChIKeyKIPQUZCQRSXSKZ-UHFFFAOYSA-N
MW485.36 g/mol
LogP3.80
Rot. Bonds6

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

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 24598685) has the molecular formula C21H17BrN4O3S and a molecular weight of 485.36 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID24598685
Molecular FormulaC21H17BrN4O3S
Molecular Weight485.36 g/mol
Exact Mass484.02
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C21H17BrN4O3S/c22-15-7-5-13(6-8-15)9-16-10-23-20(30-16)25-19(28)17-4-2-1-3-14(17)12-26-18(27)11-24-21(26)29/h1-8,10H,9,11-12H2,(H,24,29)(H,23,25,28)
InChIKeyKIPQUZCQRSXSKZ-UHFFFAOYSA-N
XLogP3.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 53.80
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-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
CID 46971835
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CID 24586365
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 24586440
2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23992686
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24603739
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 112806755
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 24598685) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is KIPQUZCQRSXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O3S/c22-15-7-5-13(6-8-15)9-16-10-23-20(30-16)25-19(28)17-4-2-1-3-14(17)12-26-18(27)11-24-21(26)29/h1-8,10H,9,11-12H2,(H,24,29)(H,23,25,28).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 485.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 24598685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).