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

C19H14BrF3N2O2S — CID 55507894

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C19H14BrF3N2O2S/c20-13-5-3-4-12(8-13)18-24-14(10-28-18)9-17(26)25-15-6-1-2-7-16(15)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,25,26)
InChIKeyZXBKLAOSKCZQGY-UHFFFAOYSA-N
MW471.30 g/mol
LogP5.69
Rot. Bonds6

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 55507894) has the molecular formula C19H14BrF3N2O2S and a molecular weight of 471.30 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID55507894
Molecular FormulaC19H14BrF3N2O2S
Molecular Weight471.30 g/mol
Exact Mass469.99
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C19H14BrF3N2O2S/c20-13-5-3-4-12(8-13)18-24-14(10-28-18)9-17(26)25-15-6-1-2-7-16(15)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,25,26)
InChIKeyZXBKLAOSKCZQGY-UHFFFAOYSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.30
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 16561843
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
CID 24568091
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 134044674
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 29426799
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35204280
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
ethyl 2-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 55507894) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is ZXBKLAOSKCZQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N2O2S/c20-13-5-3-4-12(8-13)18-24-14(10-28-18)9-17(26)25-15-6-1-2-7-16(15)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,25,26).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 471.30 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 55507894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).