2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C16H11BrFN3O2S — CID 41163697

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11BrFN3O2S/c17-10-4-5-14(11(18)7-10)23-8-15(22)21-16-20-13(9-24-16)12-3-1-2-6-19-12/h1-7,9H,8H2,(H,20,21,22)
InChIKeyKWGZBOLOJACUMT-UHFFFAOYSA-N
MW408.25 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 41163697) has the molecular formula C16H11BrFN3O2S and a molecular weight of 408.25 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID41163697
Molecular FormulaC16H11BrFN3O2S
Molecular Weight408.25 g/mol
Exact Mass406.97
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11BrFN3O2S/c17-10-4-5-14(11(18)7-10)23-8-15(22)21-16-20-13(9-24-16)12-3-1-2-6-19-12/h1-7,9H,8H2,(H,20,21,22)
InChIKeyKWGZBOLOJACUMT-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4800248
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 41163697) is 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KWGZBOLOJACUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2S/c17-10-4-5-14(11(18)7-10)23-8-15(22)21-16-20-13(9-24-16)12-3-1-2-6-19-12/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 408.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 41163697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).