N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C19H16Br2N2O2S — CID 39166248

IUPACN-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cc(Br)ccc3Br)cs2)cc1
InChIInChI=1S/C19H16Br2N2O2S/c1-2-25-15-6-3-12(4-7-15)19-22-14(11-26-19)10-18(24)23-17-9-13(20)5-8-16(17)21/h3-9,11H,2,10H2,1H3,(H,23,24)
InChIKeyRXNPERWFYDFOLZ-UHFFFAOYSA-N
MW496.22 g/mol
LogP5.91
Rot. Bonds6

About N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 39166248) has the molecular formula C19H16Br2N2O2S and a molecular weight of 496.22 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID39166248
Molecular FormulaC19H16Br2N2O2S
Molecular Weight496.22 g/mol
Exact Mass493.93
IUPAC NameN-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cc(Br)ccc3Br)cs2)cc1
InChIInChI=1S/C19H16Br2N2O2S/c1-2-25-15-6-3-12(4-7-15)19-22-14(11-26-19)10-18(24)23-17-9-13(20)5-8-16(17)21/h3-9,11H,2,10H2,1H3,(H,23,24)
InChIKeyRXNPERWFYDFOLZ-UHFFFAOYSA-N
XLogP5.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.22
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dibromophenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505827
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55783007
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 39166248) is N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3cc(Br)ccc3Br)cs2)cc1.
What is the InChIKey of N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RXNPERWFYDFOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O2S/c1-2-25-15-6-3-12(4-7-15)19-22-14(11-26-19)10-18(24)23-17-9-13(20)5-8-16(17)21/h3-9,11H,2,10H2,1H3,(H,23,24).
What are the key properties of N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 496.22 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39166248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).