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

C18H14BrClN2O3S — CID 1111960

IUPACN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)n2)cc1Br
InChIInChI=1S/C18H14BrClN2O3S/c1-24-15-7-6-11(8-12(15)19)14-10-26-18(21-14)22-17(23)9-25-16-5-3-2-4-13(16)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyAAKUJYPJGWBUMI-UHFFFAOYSA-N
MW453.75 g/mol
LogP5.25
Rot. Bonds6

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

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide (PubChem CID 1111960) has the molecular formula C18H14BrClN2O3S and a molecular weight of 453.75 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
PubChem CID1111960
Molecular FormulaC18H14BrClN2O3S
Molecular Weight453.75 g/mol
Exact Mass451.96
IUPAC NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)n2)cc1Br
InChIInChI=1S/C18H14BrClN2O3S/c1-24-15-7-6-11(8-12(15)19)14-10-26-18(21-14)22-17(23)9-25-16-5-3-2-4-13(16)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyAAKUJYPJGWBUMI-UHFFFAOYSA-N
XLogP5.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-N-{[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-3-phenylprop-2-enamide
CID 1887341
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(2-methoxyphenoxy)acetamide
CID 1275131
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(4-methoxyphenoxy)acetamide
CID 1326290
2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 979319
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 1010281
2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1153682
2-(4-chlorophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1075046
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1183680
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 1326100
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1361365
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1367005
2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2295689

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide (CID 1111960) is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide is COc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)n2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is AAKUJYPJGWBUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O3S/c1-24-15-7-6-11(8-12(15)19)14-10-26-18(21-14)22-17(23)9-25-16-5-3-2-4-13(16)20/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 453.75 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 1111960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).