2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H22F3N5OS — CID 133382760

IUPAC2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C18H22F3N5OS/c1-12(2)16-23-24-17(28-16)26-9-7-25(8-10-26)11-15(27)22-14-6-4-3-5-13(14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,27)
InChIKeyFFNUVVDNMRMODC-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.44
Rot. Bonds5

About 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 133382760) has the molecular formula C18H22F3N5OS and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID133382760
Molecular FormulaC18H22F3N5OS
Molecular Weight413.47 g/mol
Exact Mass413.15
IUPAC Name2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C18H22F3N5OS/c1-12(2)16-23-24-17(28-16)26-9-7-25(8-10-26)11-15(27)22-14-6-4-3-5-13(14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,27)
InChIKeyFFNUVVDNMRMODC-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 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-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547533
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 133382760) is 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FFNUVVDNMRMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5OS/c1-12(2)16-23-24-17(28-16)26-9-7-25(8-10-26)11-15(27)22-14-6-4-3-5-13(14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 133382760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).