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

C9H11F3N4OS — CID 108753212

IUPAC2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C9H11F3N4OS/c1-6-13-14-8(18-6)16-4-2-15(3-5-16)7(17)9(10,11)12/h2-5H2,1H3
InChIKeyBZUFYVUPQNQYMS-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.06
Rot. Bonds1

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

2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 108753212) has the molecular formula C9H11F3N4OS and a molecular weight of 280.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID108753212
Molecular FormulaC9H11F3N4OS
Molecular Weight280.27 g/mol
Exact Mass280.06
IUPAC Name2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C9H11F3N4OS/c1-6-13-14-8(18-6)16-4-2-15(3-5-16)7(17)9(10,11)12/h2-5H2,1H3
InChIKeyBZUFYVUPQNQYMS-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174538507
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598
(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753221
(2-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753220
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 126758394
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
butyl 4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate
CID 108729541
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898
(4-chloro-1-methylpyrrol-2-yl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 167803703
methyl 4-[(E)-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate
CID 108729462
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone (CID 108753212) is 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone is Cc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BZUFYVUPQNQYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-6-13-14-8(18-6)16-4-2-15(3-5-16)7(17)9(10,11)12/h2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 280.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108753212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).