N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C16H15BrN4O3S — CID 55576055

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)n1
InChIInChI=1S/C16H15BrN4O3S/c17-11-3-1-2-4-12(11)21-7-9(5-14(21)23)15(24)20-16-19-10(8-25-16)6-13(18)22/h1-4,8-9H,5-7H2,(H2,18,22)(H,19,20,24)
InChIKeyLPLUSZOZDALLSQ-UHFFFAOYSA-N
MW423.29 g/mol
LogP1.92
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55576055) has the molecular formula C16H15BrN4O3S and a molecular weight of 423.29 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55576055
Molecular FormulaC16H15BrN4O3S
Molecular Weight423.29 g/mol
Exact Mass422.00
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)n1
InChIInChI=1S/C16H15BrN4O3S/c17-11-3-1-2-4-12(11)21-7-9(5-14(21)23)15(24)20-16-19-10(8-25-16)6-13(18)22/h1-4,8-9H,5-7H2,(H2,18,22)(H,19,20,24)
InChIKeyLPLUSZOZDALLSQ-UHFFFAOYSA-N
XLogP1.92
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42953075
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 24611284
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586390
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
1-(2-bromophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953141
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 55576055) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)Cc1csc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LPLUSZOZDALLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S/c17-11-3-1-2-4-12(11)21-7-9(5-14(21)23)15(24)20-16-19-10(8-25-16)6-13(18)22/h1-4,8-9H,5-7H2,(H2,18,22)(H,19,20,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55576055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).