2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone

C16H17F3N4O2S2 — CID 55851667

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CSc1nncs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F3N4O2S2/c17-16(18,19)25-13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(24)10-26-15-21-20-11-27-15/h1-4,11H,5-10H2
InChIKeyMNSGKNSNDMAVML-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.87
Rot. Bonds6

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone

2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 55851667) has the molecular formula C16H17F3N4O2S2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID55851667
Molecular FormulaC16H17F3N4O2S2
Molecular Weight418.47 g/mol
Exact Mass418.07
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CSc1nncs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F3N4O2S2/c17-16(18,19)25-13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(24)10-26-15-21-20-11-27-15/h1-4,11H,5-10H2
InChIKeyMNSGKNSNDMAVML-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone 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

1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 55824722
2-(4-chlorophenoxy)-1-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone
CID 55888045
2-(4-acetyl-2-fluorophenyl)sulfanyl-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 55597671
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586
N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 36888013
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 46607587
2-(2-methoxyphenyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 60506594
2-(4-fluorophenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 43062013
tert-butyl N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 37358995
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone (CID 55851667) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone is O=C(CSc1nncs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is MNSGKNSNDMAVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S2/c17-16(18,19)25-13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(24)10-26-15-21-20-11-27-15/h1-4,11H,5-10H2.
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 418.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55851667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).