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

C20H21FN4S — CID 4588514

IUPAC5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
SMILESFc1ccc(Cc2nsc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21FN4S/c21-18-8-6-16(7-9-18)14-19-22-20(26-23-19)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyYUHVLZWWHKQAKJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.59
Rot. Bonds5

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

5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole (PubChem CID 4588514) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
PubChem CID4588514
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC Name5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
SMILESFc1ccc(Cc2nsc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C20H21FN4S/c21-18-8-6-16(7-9-18)14-19-22-20(26-23-19)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyYUHVLZWWHKQAKJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole (CID 4588514) is 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole is Fc1ccc(Cc2nsc(N3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole?
The InChIKey is YUHVLZWWHKQAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c21-18-8-6-16(7-9-18)14-19-22-20(26-23-19)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole?
5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole has a molecular weight of 368.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 4588514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).