N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide

C24H18Br2N2O2S — CID 19217968

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C24H18Br2N2O2S/c1-15-23(17-7-10-19(25)11-8-17)28-24(31-15)27-22(29)14-30-21-12-9-18(13-20(21)26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28,29)
InChIKeySGZUYVQTQLHRRO-UHFFFAOYSA-N
MW558.30 g/mol
LogP7.33
Rot. Bonds6

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide (PubChem CID 19217968) has the molecular formula C24H18Br2N2O2S and a molecular weight of 558.30 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
PubChem CID19217968
Molecular FormulaC24H18Br2N2O2S
Molecular Weight558.30 g/mol
Exact Mass555.95
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C24H18Br2N2O2S/c1-15-23(17-7-10-19(25)11-8-17)28-24(31-15)27-22(29)14-30-21-12-9-18(13-20(21)26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28,29)
InChIKeySGZUYVQTQLHRRO-UHFFFAOYSA-N
XLogP7.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.30
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
2-(2-bromo-4-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202264
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19178430
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide (CID 19217968) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide is Cc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide?
The InChIKey is SGZUYVQTQLHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O2S/c1-15-23(17-7-10-19(25)11-8-17)28-24(31-15)27-22(29)14-30-21-12-9-18(13-20(21)26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28,29).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide has a molecular weight of 558.30 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide is sourced from PubChem (CID 19217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).