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

C18H15BrN2O3S — CID 19218037

IUPAC2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C18H15BrN2O3S/c1-23-16-8-3-2-7-14(16)15-11-25-18(20-15)21-17(22)10-24-13-6-4-5-12(19)9-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyKHEJRIUVKJYFBJ-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.60
Rot. Bonds6

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

2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19218037) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19218037
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC Name2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C18H15BrN2O3S/c1-23-16-8-3-2-7-14(16)15-11-25-18(20-15)21-17(22)10-24-13-6-4-5-12(19)9-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyKHEJRIUVKJYFBJ-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
2-(3-bromophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178734

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19218037) is 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccccc1-c1csc(NC(=O)COc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KHEJRIUVKJYFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-23-16-8-3-2-7-14(16)15-11-25-18(20-15)21-17(22)10-24-13-6-4-5-12(19)9-13/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 419.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19218037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).