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

C16H16BrN3O2S — CID 86825580

IUPAC1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)s1
InChIInChI=1S/C16H16BrN3O2S/c1-10-18-7-12(23-10)8-19-16(22)11-6-15(21)20(9-11)14-5-3-2-4-13(14)17/h2-5,7,11H,6,8-9H2,1H3,(H,19,22)
InChIKeyJEJUQMCJIYJEHO-UHFFFAOYSA-N
MW394.29 g/mol
LogP2.88
Rot. Bonds4

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

1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 86825580) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID86825580
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC Name1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)s1
InChIInChI=1S/C16H16BrN3O2S/c1-10-18-7-12(23-10)8-19-16(22)11-6-15(21)20(9-11)14-5-3-2-4-13(14)17/h2-5,7,11H,6,8-9H2,1H3,(H,19,22)
InChIKeyJEJUQMCJIYJEHO-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 87043657
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71881105
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 136523864

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 86825580) is 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ncc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)s1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JEJUQMCJIYJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c1-10-18-7-12(23-10)8-19-16(22)11-6-15(21)20(9-11)14-5-3-2-4-13(14)17/h2-5,7,11H,6,8-9H2,1H3,(H,19,22).
What are the key properties of 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86825580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).