N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide

C18H14FN5O3S — CID 22517796

IUPACN-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
SMILESCOc1ccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C18H14FN5O3S/c1-26-13-7-6-10(9-14(13)27-2)15-21-22-18-24(15)23-17(28-18)20-16(25)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,20,23,25)
InChIKeyWJSSJOJHDAQMCS-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide

N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide (PubChem CID 22517796) has the molecular formula C18H14FN5O3S and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
PubChem CID22517796
Molecular FormulaC18H14FN5O3S
Molecular Weight399.41 g/mol
Exact Mass399.08
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide
SMILESCOc1ccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C18H14FN5O3S/c1-26-13-7-6-10(9-14(13)27-2)15-21-22-18-24(15)23-17(28-18)20-16(25)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,20,23,25)
InChIKeyWJSSJOJHDAQMCS-UHFFFAOYSA-N
XLogP3.26
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide 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

N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxybenzamide
CID 22517786
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
CID 22517840
3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517762
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
CID 22517879
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517783
3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517718
[3-(3,4-dimethoxyphenyl)-4-[4-[(3-fluorobenzoyl)amino]phenyl]-1-(4-methylphenyl)pyrazol-5-yl] acetate
CID 42838194
3-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 3274065
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517719
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3333072

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide (CID 22517796) is N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide is COc1ccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide?
The InChIKey is WJSSJOJHDAQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3S/c1-26-13-7-6-10(9-14(13)27-2)15-21-22-18-24(15)23-17(28-18)20-16(25)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,20,23,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide?
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide has a molecular weight of 399.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-fluorobenzamide is sourced from PubChem (CID 22517796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).