1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

C9H11F3N4OS — CID 126758394

IUPAC1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H11F3N4OS/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3
InChIKeyCTSWPAQXHURMHO-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.23
Rot. Bonds1

About 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 126758394) has the molecular formula C9H11F3N4OS and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID126758394
Molecular FormulaC9H11F3N4OS
Molecular Weight280.27 g/mol
Exact Mass280.06
IUPAC Name1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H11F3N4OS/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3
InChIKeyCTSWPAQXHURMHO-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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

[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 155503336
1-[4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405310
4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]butanoic acid
CID 58576548
methyl 5-oxo-5-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepan-1-yl]pentanoate
CID 91651214
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 46972572
(2,3-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 166222970
N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 72891903
1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 82477525
4-propyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
CID 114449365
(5-methoxy-2-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 146042393
3-(2-ethylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 131895874
N-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 166224856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (CID 126758394) is 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is CTSWPAQXHURMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 280.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126758394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).