3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide

C11H7F2N5OS — CID 110401733

IUPAC3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1nn2cnnc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2N5OS/c12-7-2-1-6(3-8(7)13)10(19)14-4-9-17-18-5-15-16-11(18)20-9/h1-3,5H,4H2,(H,14,19)
InChIKeyKOZFGADOWPGPNA-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.39
Rot. Bonds3

About 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide

3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide (PubChem CID 110401733) has the molecular formula C11H7F2N5OS and a molecular weight of 295.27 g/mol. Its IUPAC name is 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
PubChem CID110401733
Molecular FormulaC11H7F2N5OS
Molecular Weight295.27 g/mol
Exact Mass295.03
IUPAC Name3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1nn2cnnc2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7F2N5OS/c12-7-2-1-6(3-8(7)13)10(19)14-4-9-17-18-5-15-16-11(18)20-9/h1-3,5H,4H2,(H,14,19)
InChIKeyKOZFGADOWPGPNA-UHFFFAOYSA-N
XLogP1.39
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385800
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
CID 110401669
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401561
N-benzyl-3,4-difluorobenzamide
CID 1294460
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
4-methoxy-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401518
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-difluorobenzamide
CID 110401260
3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110672955
2,4-dichloro-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401568

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide (CID 110401733) is 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide is O=C(NCc1nn2cnnc2s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The InChIKey is KOZFGADOWPGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5OS/c12-7-2-1-6(3-8(7)13)10(19)14-4-9-17-18-5-15-16-11(18)20-9/h1-3,5H,4H2,(H,14,19).
What are the key properties of 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide has a molecular weight of 295.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 110401733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).