2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C19H15F3N2O2S — CID 1183095

IUPAC2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)14-6-4-5-13(9-14)10-16-11-23-18(27-16)24-17(25)12-26-15-7-2-1-3-8-15/h1-9,11H,10,12H2,(H,23,24,25)
InChIKeyLHXSFYBZMLQMGB-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.77
Rot. Bonds6

About 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1183095) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1183095
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)14-6-4-5-13(9-14)10-16-11-23-18(27-16)24-17(25)12-26-15-7-2-1-3-8-15/h1-9,11H,10,12H2,(H,23,24,25)
InChIKeyLHXSFYBZMLQMGB-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 1183095) is 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(COc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LHXSFYBZMLQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)14-6-4-5-13(9-14)10-16-11-23-18(27-16)24-17(25)12-26-15-7-2-1-3-8-15/h1-9,11H,10,12H2,(H,23,24,25).
What are the key properties of 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 392.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).