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

C17H13BrN2O3S — CID 45035781

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2O3S/c18-12-7-5-11(6-8-12)13-10-24-17(19-13)20-16(22)9-23-15-4-2-1-3-14(15)21/h1-8,10,21H,9H2,(H,19,20,22)
InChIKeyAZWGFCWHOTTXPY-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.30
Rot. Bonds5

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 45035781) has the molecular formula C17H13BrN2O3S and a molecular weight of 405.27 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID45035781
Molecular FormulaC17H13BrN2O3S
Molecular Weight405.27 g/mol
Exact Mass403.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H13BrN2O3S/c18-12-7-5-11(6-8-12)13-10-24-17(19-13)20-16(22)9-23-15-4-2-1-3-14(15)21/h1-8,10,21H,9H2,(H,19,20,22)
InChIKeyAZWGFCWHOTTXPY-UHFFFAOYSA-N
XLogP4.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193326
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide (CID 45035781) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is AZWGFCWHOTTXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3S/c18-12-7-5-11(6-8-12)13-10-24-17(19-13)20-16(22)9-23-15-4-2-1-3-14(15)21/h1-8,10,21H,9H2,(H,19,20,22).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 405.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 45035781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).