N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide

C19H17BrN2O2S — CID 19175684

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-2-13-5-3-4-6-17(13)24-11-18(23)22-19-21-16(12-25-19)14-7-9-15(20)10-8-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyQHTCYTITDLVNDB-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.15
Rot. Bonds6

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide (PubChem CID 19175684) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
PubChem CID19175684
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-2-13-5-3-4-6-17(13)24-11-18(23)22-19-21-16(12-25-19)14-7-9-15(20)10-8-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyQHTCYTITDLVNDB-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide (CID 19175684) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide?
The InChIKey is QHTCYTITDLVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-2-13-5-3-4-6-17(13)24-11-18(23)22-19-21-16(12-25-19)14-7-9-15(20)10-8-14/h3-10,12H,2,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide has a molecular weight of 417.33 g/mol, XLogP of 5.15, 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)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide is sourced from PubChem (CID 19175684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).