5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

C19H18F2N4S — CID 163212380

IUPAC5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1cccc(N2CCN(Cc3nnsc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C19H18F2N4S/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18-19(26-23-22-18)16-6-1-2-7-17(16)21/h1-7,12H,8-11,13H2
InChIKeyIYYPJFBSJKJWMM-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.81
Rot. Bonds4

About 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 163212380) has the molecular formula C19H18F2N4S and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID163212380
Molecular FormulaC19H18F2N4S
Molecular Weight372.44 g/mol
Exact Mass372.12
IUPAC Name5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1cccc(N2CCN(Cc3nnsc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C19H18F2N4S/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18-19(26-23-22-18)16-6-1-2-7-17(16)21/h1-7,12H,8-11,13H2
InChIKeyIYYPJFBSJKJWMM-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]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 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (CID 163212380) is 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is Fc1cccc(N2CCN(Cc3nnsc3-c3ccccc3F)CC2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is IYYPJFBSJKJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4S/c20-14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18-19(26-23-22-18)16-6-1-2-7-17(16)21/h1-7,12H,8-11,13H2.
What are the key properties of 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 372.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 163212380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).