N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide

C13H11BrN2O3S — CID 9451872

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
SMILESCC(=O)c1csc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C13H11BrN2O3S/c1-8(17)11-7-20-13(15-11)16-12(18)6-19-10-4-2-3-9(14)5-10/h2-5,7H,6H2,1H3,(H,15,16,18)
InChIKeyGRVYQELIEWNPDM-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.13
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide (PubChem CID 9451872) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
PubChem CID9451872
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
SMILESCC(=O)c1csc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C13H11BrN2O3S/c1-8(17)11-7-20-13(15-11)16-12(18)6-19-10-4-2-3-9(14)5-10/h2-5,7H,6H2,1H3,(H,15,16,18)
InChIKeyGRVYQELIEWNPDM-UHFFFAOYSA-N
XLogP3.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19218037
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
2-(3-bromophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178734
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide (CID 9451872) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide is CC(=O)c1csc(NC(=O)COc2cccc(Br)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide?
The InChIKey is GRVYQELIEWNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-8(17)11-7-20-13(15-11)16-12(18)6-19-10-4-2-3-9(14)5-10/h2-5,7H,6H2,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide has a molecular weight of 355.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide is sourced from PubChem (CID 9451872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).