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

C20H19F3N4S — CID 1289403

IUPAC2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C20H19F3N4S/c21-20(22,23)18-24-25-19(28-18)27-13-11-26(12-14-27)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyDCULERZJGVTOOL-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.47
Rot. Bonds4

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

2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 1289403) has the molecular formula C20H19F3N4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID1289403
Molecular FormulaC20H19F3N4S
Molecular Weight404.46 g/mol
Exact Mass404.13
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C20H19F3N4S/c21-20(22,23)18-24-25-19(28-18)27-13-11-26(12-14-27)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyDCULERZJGVTOOL-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-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

Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-5-phenyl-1,3,4-thiadiazole
CID 53321787
2-(1,4''-Bipiperidin-1''-yl)-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 53321789
2-(1,4''-Bipiperidin-1''-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 53321790
2-(1,4''-Bipiperidin-1''-yl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 53325775
2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 661864
2-(3,5-Difluorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53323111
1-(9H-fluoren-9-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 1878589
2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole
CID 97074935
[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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 1289403) is 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is DCULERZJGVTOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4S/c21-20(22,23)18-24-25-19(28-18)27-13-11-26(12-14-27)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 404.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 1289403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).