2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C16H15F3N6OS — CID 133455475

IUPAC2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1ccc(N2CCN(CC(=O)Nc3nncs3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N6OS/c17-16(18,19)12-7-11(8-20)1-2-13(12)25-5-3-24(4-6-25)9-14(26)22-15-23-21-10-27-15/h1-2,7,10H,3-6,9H2,(H,22,23,26)
InChIKeyRKDNHCAYEKJJMM-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455475) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID133455475
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC Name2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1ccc(N2CCN(CC(=O)Nc3nncs3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N6OS/c17-16(18,19)12-7-11(8-20)1-2-13(12)25-5-3-24(4-6-25)9-14(26)22-15-23-21-10-27-15/h1-2,7,10H,3-6,9H2,(H,22,23,26)
InChIKeyRKDNHCAYEKJJMM-UHFFFAOYSA-N
XLogP2.19
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-bromo-4-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455468
2-[4-(5-chloro-2-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455423
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
4-[4-(3-hydroxypropyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328092
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-[4-(5-bromo-2-nitrophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455498
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328094
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328095
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22195495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455475) is 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is N#Cc1ccc(N2CCN(CC(=O)Nc3nncs3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RKDNHCAYEKJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS/c17-16(18,19)12-7-11(8-20)1-2-13(12)25-5-3-24(4-6-25)9-14(26)22-15-23-21-10-27-15/h1-2,7,10H,3-6,9H2,(H,22,23,26).
What are the key properties of 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 396.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyano-2-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).