N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C22H18BrN3O3S — CID 46586390

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)nc1-c1ccccc1
InChIInChI=1S/C22H18BrN3O3S/c1-13(27)20-19(14-7-3-2-4-8-14)24-22(30-20)25-21(29)15-11-18(28)26(12-15)17-10-6-5-9-16(17)23/h2-10,15H,11-12H2,1H3,(H,24,25,29)
InChIKeyBJBOIWZIQATVKX-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.77
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46586390) has the molecular formula C22H18BrN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46586390
Molecular FormulaC22H18BrN3O3S
Molecular Weight484.38 g/mol
Exact Mass483.03
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)nc1-c1ccccc1
InChIInChI=1S/C22H18BrN3O3S/c1-13(27)20-19(14-7-3-2-4-8-14)24-22(30-20)25-21(29)15-11-18(28)26(12-15)17-10-6-5-9-16(17)23/h2-10,15H,11-12H2,1H3,(H,24,25,29)
InChIKeyBJBOIWZIQATVKX-UHFFFAOYSA-N
XLogP4.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42953075
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
1-(2-ethylphenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55517163
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55576055
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
methyl 2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 94871389
methyl 2-[[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 96556712
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46586390) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BJBOIWZIQATVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3S/c1-13(27)20-19(14-7-3-2-4-8-14)24-22(30-20)25-21(29)15-11-18(28)26(12-15)17-10-6-5-9-16(17)23/h2-10,15H,11-12H2,1H3,(H,24,25,29).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46586390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).