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

C18H14Br2N2O2S — CID 19218039

IUPAC2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2cccc(Br)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O2S/c1-11-17(12-5-7-13(19)8-6-12)22-18(25-11)21-16(23)10-24-15-4-2-3-14(20)9-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyGEKIQYZXNFOWOX-UHFFFAOYSA-N
MW482.20 g/mol
LogP5.66
Rot. Bonds5

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

2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 19218039) has the molecular formula C18H14Br2N2O2S and a molecular weight of 482.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID19218039
Molecular FormulaC18H14Br2N2O2S
Molecular Weight482.20 g/mol
Exact Mass479.91
IUPAC Name2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2cccc(Br)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O2S/c1-11-17(12-5-7-13(19)8-6-12)22-18(25-11)21-16(23)10-24-15-4-2-3-14(20)9-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyGEKIQYZXNFOWOX-UHFFFAOYSA-N
XLogP5.66
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 ≤ 55.66
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-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 1191419
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
CID 19227755
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
2-(3,4-dimethylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217567

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 19218039) is 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)COc2cccc(Br)c2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GEKIQYZXNFOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O2S/c1-11-17(12-5-7-13(19)8-6-12)22-18(25-11)21-16(23)10-24-15-4-2-3-14(20)9-15/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 482.20 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19218039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).