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

C15H7ClF2N4S — CID 42569837

IUPAC3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1F
InChIInChI=1S/C15H7ClF2N4S/c16-9-6-4-8(5-7-9)13-19-20-15-22(13)21-14(23-15)10-2-1-3-11(17)12(10)18/h1-7H
InChIKeyZYTNJIVYOPJJEJ-UHFFFAOYSA-N
MW348.77 g/mol
LogP4.45
Rot. Bonds2

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

3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 42569837) has the molecular formula C15H7ClF2N4S and a molecular weight of 348.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID42569837
Molecular FormulaC15H7ClF2N4S
Molecular Weight348.77 g/mol
Exact Mass348.00
IUPAC Name3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1F
InChIInChI=1S/C15H7ClF2N4S/c16-9-6-4-8(5-7-9)13-19-20-15-22(13)21-14(23-15)10-2-1-3-11(17)12(10)18/h1-7H
InChIKeyZYTNJIVYOPJJEJ-UHFFFAOYSA-N
XLogP4.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
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-pyridin-4-yl-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51048897
2-[2-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-1,3-benzothiazole
CID 16766990
6-[2-fluoro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52901353
3-(4-chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665360
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
3-(5-chloro-2-methoxyphenyl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 26434308
3-(2,3-difluorophenyl)-6-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569323
3-(3-chlorophenyl)-6-[4-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11577531
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929794

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 42569837) is 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1F.
What is the InChIKey of 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZYTNJIVYOPJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N4S/c16-9-6-4-8(5-7-9)13-19-20-15-22(13)21-14(23-15)10-2-1-3-11(17)12(10)18/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 348.77 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 42569837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).