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

C20H18F3N5OS — CID 141146312

IUPAC2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C20H18F3N5OS/c21-20(22,23)18(29)24-15-6-8-16(9-7-15)27-10-12-28(13-11-27)19-25-17(26-30-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,29)
InChIKeyCIUDBOXFWPTTHO-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.03
Rot. Bonds4

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

2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide (PubChem CID 141146312) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
PubChem CID141146312
Molecular FormulaC20H18F3N5OS
Molecular Weight433.46 g/mol
Exact Mass433.12
IUPAC Name2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C20H18F3N5OS/c21-20(22,23)18(29)24-15-6-8-16(9-7-15)27-10-12-28(13-11-27)19-25-17(26-30-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,29)
InChIKeyCIUDBOXFWPTTHO-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]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-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
(2R)-1,1,1-trifluoro-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-2-ol
CID 6975603
N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68778002
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133310556
4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
CID 15979377
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
9-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22640149

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide (CID 141146312) is 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide is O=C(Nc1ccc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is CIUDBOXFWPTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c21-20(22,23)18(29)24-15-6-8-16(9-7-15)27-10-12-28(13-11-27)19-25-17(26-30-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,29).
What are the key properties of 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 433.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 141146312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).