3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H6F2N6S2 — CID 56762992

IUPAC3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnsc1-c1nn2c(-c3ccc(F)c(F)c3)nnc2s1
InChIInChI=1S/C12H6F2N6S2/c1-5-9(22-19-15-5)11-18-20-10(16-17-12(20)21-11)6-2-3-7(13)8(14)4-6/h2-4H,1H3
InChIKeyWWDQYGWZBIWTNT-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.96
Rot. Bonds2

About 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 56762992) has the molecular formula C12H6F2N6S2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID56762992
Molecular FormulaC12H6F2N6S2
Molecular Weight336.35 g/mol
Exact Mass336.01
IUPAC Name3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnsc1-c1nn2c(-c3ccc(F)c(F)c3)nnc2s1
InChIInChI=1S/C12H6F2N6S2/c1-5-9(22-19-15-5)11-18-20-10(16-17-12(20)21-11)6-2-3-7(13)8(14)4-6/h2-4H,1H3
InChIKeyWWDQYGWZBIWTNT-UHFFFAOYSA-N
XLogP2.96
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-bromo-2-fluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52899392
3-(3-bromo-4-fluorophenyl)-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51048513
6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45276315
3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569837
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-pyridin-4-yl-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51048897
6-(3-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42568658
2-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28912017
6-(3-bromo-4-fluorophenyl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46949134
6-(2-fluorophenyl)-3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42581251
6-(3,5-ditert-butylphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313666
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 854617

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 56762992) is 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nnsc1-c1nn2c(-c3ccc(F)c(F)c3)nnc2s1.
What is the InChIKey of 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is WWDQYGWZBIWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N6S2/c1-5-9(22-19-15-5)11-18-20-10(16-17-12(20)21-11)6-2-3-7(13)8(14)4-6/h2-4H,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 336.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 56762992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).