5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide

C18H11F7N4OS — CID 87532913

IUPAC5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C18H11F7N4OS/c19-11-5-6-13(18(23,24)25)12(8-11)15(30)27-29-16-28-26-14(31-16)7-9-1-3-10(4-2-9)17(20,21)22/h1-6,8H,7H2,(H,27,30)(H,28,29)
InChIKeyWJSQTJVTKNGJMZ-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.06
Rot. Bonds5

About 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide

5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide (PubChem CID 87532913) has the molecular formula C18H11F7N4OS and a molecular weight of 464.37 g/mol. Its IUPAC name is 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide.

Molecular Properties

Compound Name5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
PubChem CID87532913
Molecular FormulaC18H11F7N4OS
Molecular Weight464.37 g/mol
Exact Mass464.05
IUPAC Name5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C18H11F7N4OS/c19-11-5-6-13(18(23,24)25)12(8-11)15(30)27-29-16-28-26-14(31-16)7-9-1-3-10(4-2-9)17(20,21)22/h1-6,8H,7H2,(H,27,30)(H,28,29)
InChIKeyWJSQTJVTKNGJMZ-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide?
The IUPAC name of 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide (CID 87532913) is 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide.
What is the SMILES notation for 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide?
The canonical SMILES for 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide is O=C(NNc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide?
The InChIKey is WJSQTJVTKNGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F7N4OS/c19-11-5-6-13(18(23,24)25)12(8-11)15(30)27-29-16-28-26-14(31-16)7-9-1-3-10(4-2-9)17(20,21)22/h1-6,8H,7H2,(H,27,30)(H,28,29).
What are the key properties of 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide?
5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide has a molecular weight of 464.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide is sourced from PubChem (CID 87532913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).