6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H19FN6S — CID 73402791

IUPAC6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)CC1CC(c2nnc3sc(-c4ccccc4F)nn23)NN1
InChIInChI=1S/C16H19FN6S/c1-9(2)7-10-8-13(19-18-10)14-20-21-16-23(14)22-15(24-16)11-5-3-4-6-12(11)17/h3-6,9-10,13,18-19H,7-8H2,1-2H3
InChIKeyXUYSKTSMRWIVNS-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.95
Rot. Bonds4

About 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 73402791) has the molecular formula C16H19FN6S and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID73402791
Molecular FormulaC16H19FN6S
Molecular Weight346.44 g/mol
Exact Mass346.14
IUPAC Name6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)CC1CC(c2nnc3sc(-c4ccccc4F)nn23)NN1
InChIInChI=1S/C16H19FN6S/c1-9(2)7-10-8-13(19-18-10)14-20-21-16-23(14)22-15(24-16)11-5-3-4-6-12(11)17/h3-6,9-10,13,18-19H,7-8H2,1-2H3
InChIKeyXUYSKTSMRWIVNS-UHFFFAOYSA-N
XLogP2.95
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-6-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 73259016
3-[(4-fluorophenyl)methyl]-6-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 75605359
3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 85462847
6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carbonyl chloride
CID 50895897
6-(2-fluorophenyl)-3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42581251
6-(2,3-difluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45490183
6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
3-(benzylsulfanylmethyl)-6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 134692859
3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569136
2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114352034
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylaniline
CID 114355733
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylaniline
CID 114355483

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 73402791) is 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)CC1CC(c2nnc3sc(-c4ccccc4F)nn23)NN1.
What is the InChIKey of 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is XUYSKTSMRWIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6S/c1-9(2)7-10-8-13(19-18-10)14-20-21-16-23(14)22-15(24-16)11-5-3-4-6-12(11)17/h3-6,9-10,13,18-19H,7-8H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 346.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-[5-(2-methylpropyl)pyrazolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 73402791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).