3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H12F2N4O2S — CID 42569323

IUPAC3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c(OC)c1
InChIInChI=1S/C17H12F2N4O2S/c1-24-9-6-7-10(13(8-9)25-2)16-22-23-15(20-21-17(23)26-16)11-4-3-5-12(18)14(11)19/h3-8H,1-2H3
InChIKeyUGCNCRALEAXNHG-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.82
Rot. Bonds4

About 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 42569323) has the molecular formula C17H12F2N4O2S and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID42569323
Molecular FormulaC17H12F2N4O2S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c(OC)c1
InChIInChI=1S/C17H12F2N4O2S/c1-24-9-6-7-10(13(8-9)25-2)16-22-23-15(20-21-17(23)26-16)11-4-3-5-12(18)14(11)19/h3-8H,1-2H3
InChIKeyUGCNCRALEAXNHG-UHFFFAOYSA-N
XLogP3.82
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569136
6-(2,3-difluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45490183
3-(5-chloro-2-methoxyphenyl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 26434308
6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
6-(2,4-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372277
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2021657
3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569837
3-[(3,5-difluorophenyl)methyl]-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 29133906
3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932926
6-(2,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53338206
3-(3-chlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 933617
6-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985640

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 42569323) is 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c(OC)c1.
What is the InChIKey of 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UGCNCRALEAXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2S/c1-24-9-6-7-10(13(8-9)25-2)16-22-23-15(20-21-17(23)26-16)11-4-3-5-12(18)14(11)19/h3-8H,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 374.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 42569323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).