6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H9F2N5OS — CID 141409625

IUPAC6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nn3c(-c4ccncc4F)nnc3s2)cc1
InChIInChI=1S/C15H9F2N5OS/c16-9-1-3-10(4-2-9)23-8-13-21-22-14(19-20-15(22)24-13)11-5-6-18-7-12(11)17/h1-7H,8H2
InChIKeyAIJTUAFKRQCXMC-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.11
Rot. Bonds4

About 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 141409625) has the molecular formula C15H9F2N5OS and a molecular weight of 345.33 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID141409625
Molecular FormulaC15H9F2N5OS
Molecular Weight345.33 g/mol
Exact Mass345.05
IUPAC Name6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nn3c(-c4ccncc4F)nnc3s2)cc1
InChIInChI=1S/C15H9F2N5OS/c16-9-1-3-10(4-2-9)23-8-13-21-22-14(19-20-15(22)24-13)11-5-6-18-7-12(11)17/h1-7H,8H2
InChIKeyAIJTUAFKRQCXMC-UHFFFAOYSA-N
XLogP3.11
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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

6-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850660
3-(4-fluorophenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313651
6-[(4-fluorophenoxy)methyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493881
3-[6-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
CID 4892888
3-(2,4-dichloro-5-fluorophenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 24744615
3-(2-methoxyphenyl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663268
3-[(4-fluorophenoxy)methyl]-6-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850539
3-(ethylsulfanylmethyl)-6-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 138106487
6-[(4-bromophenoxy)methyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493877
6-[(2-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313653
3,6-bis[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 15710752
6-[(4-bromophenoxy)methyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2992258

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 141409625) is 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(OCc2nn3c(-c4ccncc4F)nnc3s2)cc1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AIJTUAFKRQCXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5OS/c16-9-1-3-10(4-2-9)23-8-13-21-22-14(19-20-15(22)24-13)11-5-6-18-7-12(11)17/h1-7H,8H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 345.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-3-(3-fluoro-4-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 141409625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).