2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide

C20H18F2N2O2S — CID 18145113

IUPAC2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccccc1F
InChIInChI=1S/C20H18F2N2O2S/c21-15-5-7-17(8-6-15)26-12-20-24-16(13-27-20)11-19(25)23-10-9-14-3-1-2-4-18(14)22/h1-8,13H,9-12H2,(H,23,25)
InChIKeyUJBSSBIQOMVWGI-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.90
Rot. Bonds8

About 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 18145113) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID18145113
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccccc1F
InChIInChI=1S/C20H18F2N2O2S/c21-15-5-7-17(8-6-15)26-12-20-24-16(13-27-20)11-19(25)23-10-9-14-3-1-2-4-18(14)22/h1-8,13H,9-12H2,(H,23,25)
InChIKeyUJBSSBIQOMVWGI-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 18145113) is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide is O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccccc1F.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is UJBSSBIQOMVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c21-15-5-7-17(8-6-15)26-12-20-24-16(13-27-20)11-19(25)23-10-9-14-3-1-2-4-18(14)22/h1-8,13H,9-12H2,(H,23,25).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 388.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18145113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).