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

C18H14Br2N2O2S — CID 24505827

IUPACN-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(Br)cc3Br)cs2)cc1
InChIInChI=1S/C18H14Br2N2O2S/c1-24-14-5-2-11(3-6-14)18-21-13(10-25-18)9-17(23)22-16-7-4-12(19)8-15(16)20/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyKIHIEKNTEDHQBR-UHFFFAOYSA-N
MW482.20 g/mol
LogP5.52
Rot. Bonds5

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

N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24505827) has the molecular formula C18H14Br2N2O2S and a molecular weight of 482.20 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID24505827
Molecular FormulaC18H14Br2N2O2S
Molecular Weight482.20 g/mol
Exact Mass479.91
IUPAC NameN-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(Br)cc3Br)cs2)cc1
InChIInChI=1S/C18H14Br2N2O2S/c1-24-14-5-2-11(3-6-14)18-21-13(10-25-18)9-17(23)22-16-7-4-12(19)8-15(16)20/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyKIHIEKNTEDHQBR-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.20
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 39166248
N-(2,4-dibromophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24663211
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
N-(2-tert-butylphenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505799
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 17468761
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 24505827) is N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)cc3Br)cs2)cc1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KIHIEKNTEDHQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O2S/c1-24-14-5-2-11(3-6-14)18-21-13(10-25-18)9-17(23)22-16-7-4-12(19)8-15(16)20/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 482.20 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24505827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).