2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H10BrFN2O2S — CID 2673035

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(F)cc2Br)s1
InChIInChI=1S/C12H10BrFN2O2S/c1-7-5-15-12(19-7)16-11(17)6-18-10-3-2-8(14)4-9(10)13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyZISNGRCMTMNCJE-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2673035) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2673035
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(F)cc2Br)s1
InChIInChI=1S/C12H10BrFN2O2S/c1-7-5-15-12(19-7)16-11(17)6-18-10-3-2-8(14)4-9(10)13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyZISNGRCMTMNCJE-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2673035) is 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)COc2ccc(F)cc2Br)s1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZISNGRCMTMNCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-7-5-15-12(19-7)16-11(17)6-18-10-3-2-8(14)4-9(10)13/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.19 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2673035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).