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

C17H12Br2N2O2S — CID 19196817

IUPAC2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H12Br2N2O2S/c18-12-4-1-3-11(7-12)15-10-24-17(20-15)21-16(22)9-23-14-6-2-5-13(19)8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyOAPNPPSKSARQDN-UHFFFAOYSA-N
MW468.17 g/mol
LogP5.35
Rot. Bonds5

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

2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19196817) has the molecular formula C17H12Br2N2O2S and a molecular weight of 468.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19196817
Molecular FormulaC17H12Br2N2O2S
Molecular Weight468.17 g/mol
Exact Mass465.90
IUPAC Name2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H12Br2N2O2S/c18-12-4-1-3-11(7-12)15-10-24-17(20-15)21-16(22)9-23-14-6-2-5-13(19)8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyOAPNPPSKSARQDN-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.17
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196910
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 19196652
2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19218037
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 19196817) is 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1cccc(Br)c1)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OAPNPPSKSARQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O2S/c18-12-4-1-3-11(7-12)15-10-24-17(20-15)21-16(22)9-23-14-6-2-5-13(19)8-14/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 468.17 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).