2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide

C17H10F5N3O2S — CID 129154902

IUPAC2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(Oc2cc(F)c(C(=O)Nc3nncs3)cc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F5N3O2S/c1-8-2-9(17(20,21)22)4-10(3-8)27-14-6-12(18)11(5-13(14)19)15(26)24-16-25-23-7-28-16/h2-7H,1H3,(H,24,25,26)
InChIKeyDYAUOEZFWMEAMR-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.19
Rot. Bonds4

About 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide

2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 129154902) has the molecular formula C17H10F5N3O2S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID129154902
Molecular FormulaC17H10F5N3O2S
Molecular Weight415.34 g/mol
Exact Mass415.04
IUPAC Name2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(Oc2cc(F)c(C(=O)Nc3nncs3)cc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F5N3O2S/c1-8-2-9(17(20,21)22)4-10(3-8)27-14-6-12(18)11(5-13(14)19)15(26)24-16-25-23-7-28-16/h2-7H,1H3,(H,24,25,26)
InChIKeyDYAUOEZFWMEAMR-UHFFFAOYSA-N
XLogP5.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 129154902) is 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1cc(Oc2cc(F)c(C(=O)Nc3nncs3)cc2F)cc(C(F)(F)F)c1.
What is the InChIKey of 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DYAUOEZFWMEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2S/c1-8-2-9(17(20,21)22)4-10(3-8)27-14-6-12(18)11(5-13(14)19)15(26)24-16-25-23-7-28-16/h2-7H,1H3,(H,24,25,26).
What are the key properties of 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 415.34 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[3-methyl-5-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 129154902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).