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

C17H18BrN3O2S — CID 31215669

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H18BrN3O2S/c1-20(10-12-5-2-3-6-14(12)18)16(23)9-13-11-24-17(19-13)21-8-4-7-15(21)22/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyXKEYJELUQSYXPY-UHFFFAOYSA-N
MW408.32 g/mol
LogP3.23
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 31215669) has the molecular formula C17H18BrN3O2S and a molecular weight of 408.32 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID31215669
Molecular FormulaC17H18BrN3O2S
Molecular Weight408.32 g/mol
Exact Mass407.03
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H18BrN3O2S/c1-20(10-12-5-2-3-6-14(12)18)16(23)9-13-11-24-17(19-13)21-8-4-7-15(21)22/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyXKEYJELUQSYXPY-UHFFFAOYSA-N
XLogP3.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 31215669) is N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CN(Cc1ccccc1Br)C(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XKEYJELUQSYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2S/c1-20(10-12-5-2-3-6-14(12)18)16(23)9-13-11-24-17(19-13)21-8-4-7-15(21)22/h2-3,5-6,11H,4,7-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31215669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).