2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide

C11H8F3N3O2S — CID 67685907

IUPAC2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
SMILESNC(=O)C(Oc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-17-10(20-9)19-7(8(15)18)6-4-2-1-3-5-6/h1-5,7H,(H2,15,18)
InChIKeyWAYOTIHWSFGYFM-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.16
Rot. Bonds4

About 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide

2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide (PubChem CID 67685907) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
PubChem CID67685907
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
SMILESNC(=O)C(Oc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-17-10(20-9)19-7(8(15)18)6-4-2-1-3-5-6/h1-5,7H,(H2,15,18)
InChIKeyWAYOTIHWSFGYFM-UHFFFAOYSA-N
XLogP2.16
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-(1,2,2,2-tetrafluoroethoxy)acetamide
CID 68531753
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
2-[dibromo(hydroxy)methoxy]-2-phenylacetamide
CID 20847466
N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide
CID 19065557
2-benzhydryloxy-2-phenylacetamide
CID 54041521
3-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450092
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-tert-butyl-1,3-thiazole-5-carboxylate
CID 95049199
2-(2-tert-butylphenoxy)-2-(4-phenylphenyl)acetamide
CID 164545184
3-chloro-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450098
2-(4-iodophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 70937420
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?
The IUPAC name of 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide (CID 67685907) is 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide.
What is the SMILES notation for 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?
The canonical SMILES for 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is NC(=O)C(Oc1nnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?
The InChIKey is WAYOTIHWSFGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-17-10(20-9)19-7(8(15)18)6-4-2-1-3-5-6/h1-5,7H,(H2,15,18).
What are the key properties of 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide?
2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide has a molecular weight of 303.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide is sourced from PubChem (CID 67685907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).