2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide

C17H13F2N3O2S — CID 15405414

IUPAC2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1nnc(-c2c(F)cccc2F)s1)c1ccccc1
InChIInChI=1S/C17H13F2N3O2S/c1-22(11-6-3-2-4-7-11)14(23)10-24-17-21-20-16(25-17)15-12(18)8-5-9-13(15)19/h2-9H,10H2,1H3
InChIKeyUKGRXLIXESUDMP-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.53
Rot. Bonds5

About 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide

2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide (PubChem CID 15405414) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide
PubChem CID15405414
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC Name2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1nnc(-c2c(F)cccc2F)s1)c1ccccc1
InChIInChI=1S/C17H13F2N3O2S/c1-22(11-6-3-2-4-7-11)14(23)10-24-17-21-20-16(25-17)15-12(18)8-5-9-13(15)19/h2-9H,10H2,1H3
InChIKeyUKGRXLIXESUDMP-UHFFFAOYSA-N
XLogP3.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide (CID 15405414) is 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide is CN(C(=O)COc1nnc(-c2c(F)cccc2F)s1)c1ccccc1.
What is the InChIKey of 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide?
The InChIKey is UKGRXLIXESUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/c1-22(11-6-3-2-4-7-11)14(23)10-24-17-21-20-16(25-17)15-12(18)8-5-9-13(15)19/h2-9H,10H2,1H3.
What are the key properties of 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide?
2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide has a molecular weight of 361.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]oxy]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 15405414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).