2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C14H15F3N4S — CID 661864

IUPAC2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C14H15F3N4S/c15-14(16,17)12-18-19-13(22-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyIOXXBZCMFCUMRW-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 661864) has the molecular formula C14H15F3N4S and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID661864
Molecular FormulaC14H15F3N4S
Molecular Weight328.36 g/mol
Exact Mass328.10
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C14H15F3N4S/c15-14(16,17)12-18-19-13(22-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyIOXXBZCMFCUMRW-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CID 1500024
2-(4-benzyl-1-piperazinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 23724150
2-(4-Benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 1289403
2-[4-(3-Methylphenyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 748110
(5-Phenyl-[1,3,4]thiadiazol-2-yl)-(2-piperidin-1-yl-ethyl)-amine
CID 44376811
N-{2-[(dimethylamino)methyl]benzyl}-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 129616006
N-benzyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405918
[1-(4-Fluoro-benzyl)-piperidin-4-yl]-methyl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25022336
[1-(3-Fluoro-benzyl)-piperidin-4-yl]-methyl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054683
[1-(4-Fluoro-benzyl)-piperidin-4-yl]-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054684
[1-(3,4-Difluoro-benzyl)-piperidin-4-yl]-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054941
[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054942

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 661864) is 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is IOXXBZCMFCUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S/c15-14(16,17)12-18-19-13(22-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 328.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 661864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).