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

C20H18BrClN2O2S — CID 19203132

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C20H18BrClN2O2S/c1-3-13-10-15(21)6-9-17(13)26-11-18(25)23-20-24-19(12(2)27-20)14-4-7-16(22)8-5-14/h4-10H,3,11H2,1-2H3,(H,23,24,25)
InChIKeyDHBRVVLEDXXEDU-UHFFFAOYSA-N
MW465.80 g/mol
LogP6.11
Rot. Bonds6

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

2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 19203132) has the molecular formula C20H18BrClN2O2S and a molecular weight of 465.80 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID19203132
Molecular FormulaC20H18BrClN2O2S
Molecular Weight465.80 g/mol
Exact Mass464.00
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C20H18BrClN2O2S/c1-3-13-10-15(21)6-9-17(13)26-11-18(25)23-20-24-19(12(2)27-20)14-4-7-16(22)8-5-14/h4-10H,3,11H2,1-2H3,(H,23,24,25)
InChIKeyDHBRVVLEDXXEDU-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.80
LogP ≤ 56.11
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-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
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
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19196465
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19203129
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19228768
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 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 19203132) is 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DHBRVVLEDXXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2S/c1-3-13-10-15(21)6-9-17(13)26-11-18(25)23-20-24-19(12(2)27-20)14-4-7-16(22)8-5-14/h4-10H,3,11H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 465.80 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19203132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).