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

C21H25FN6S — CID 20926610

IUPAC2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESFc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCCC4)s3)CC2)cc1
InChIInChI=1S/C21H25FN6S/c22-17-5-7-18(8-6-17)26-14-12-25(13-15-26)16-19-4-3-11-28(19)21-24-23-20(29-21)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12-16H2
InChIKeyNEAFEHZUKCGZEP-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.39
Rot. Bonds5

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

2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 20926610) has the molecular formula C21H25FN6S and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID20926610
Molecular FormulaC21H25FN6S
Molecular Weight412.54 g/mol
Exact Mass412.18
IUPAC Name2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESFc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCCC4)s3)CC2)cc1
InChIInChI=1S/C21H25FN6S/c22-17-5-7-18(8-6-17)26-14-12-25(13-15-26)16-19-4-3-11-28(19)21-24-23-20(29-21)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12-16H2
InChIKeyNEAFEHZUKCGZEP-UHFFFAOYSA-N
XLogP3.39
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-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 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 20926610) is 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole is Fc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCCC4)s3)CC2)cc1.
What is the InChIKey of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is NEAFEHZUKCGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6S/c22-17-5-7-18(8-6-17)26-14-12-25(13-15-26)16-19-4-3-11-28(19)21-24-23-20(29-21)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12-16H2.
What are the key properties of 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 412.54 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 20926610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).