2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C18H14BrFN2O2S — CID 1181170

IUPAC2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H14BrFN2O2S/c19-13-3-7-15(8-4-13)24-11-17(23)22-18-21-10-16(25-18)9-12-1-5-14(20)6-2-12/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyDGFUUGHYNAUOAJ-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.65
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1181170) has the molecular formula C18H14BrFN2O2S and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1181170
Molecular FormulaC18H14BrFN2O2S
Molecular Weight421.29 g/mol
Exact Mass419.99
IUPAC Name2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H14BrFN2O2S/c19-13-3-7-15(8-4-13)24-11-17(23)22-18-21-10-16(25-18)9-12-1-5-14(20)6-2-12/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyDGFUUGHYNAUOAJ-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
2-Phenoxy-N-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-YL)acetamide
CID 1183095
N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-2-(4-chlorophenoxy)acetamide
CID 2130446
2-(4-chlorophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 4418495
N-{5-[(4-Bromophenyl)methyl]-1,3-thiazol-2-YL}-2-(2-methylphenoxy)acetamide
CID 1113615
N-{5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-YL}-2-(2-methylphenoxy)acetamide
CID 2130450
N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 2872966
N-[5-(4-Chloro-benzyl)-thiazol-2-yl]-2-(3-trifluoromethyl-phenoxy)-acetamide
CID 1113638
2-[3-(Trifluoromethyl)phenoxy]-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-YL)acetamide
CID 2872987
N-(5-(4-methoxybenzyl)thiazol-2-yl)-2-(3-(trifluoromethyl)phenoxy)acetamide
CID 1113639
2-(2-methoxyphenoxy)-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}acetamide
CID 1143615

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 1181170) is 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DGFUUGHYNAUOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O2S/c19-13-3-7-15(8-4-13)24-11-17(23)22-18-21-10-16(25-18)9-12-1-5-14(20)6-2-12/h1-8,10H,9,11H2,(H,21,22,23).
What are the key properties of 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.29 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1181170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).