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

C12H11FN4S — CID 11840536

IUPAC6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C12H11FN4S/c1-7(2)10-14-15-12-17(10)16-11(18-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeySHIRJCJLJKFTCX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.12
Rot. Bonds2

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

6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 11840536) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID11840536
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C12H11FN4S/c1-7(2)10-14-15-12-17(10)16-11(18-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeySHIRJCJLJKFTCX-UHFFFAOYSA-N
XLogP3.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-3-propan-2-yl-[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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 11840536) is 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1nnc2sc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SHIRJCJLJKFTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c1-7(2)10-14-15-12-17(10)16-11(18-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 262.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 11840536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).