1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C15H15FN4O2S2 — CID 87015318

IUPAC1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2S2/c16-12-3-1-11(2-4-12)14(22)20-7-5-19(6-8-20)13(21)9-23-15-18-17-10-24-15/h1-4,10H,5-9H2
InChIKeyNQGXHAPFIIOEIU-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 87015318) has the molecular formula C15H15FN4O2S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID87015318
Molecular FormulaC15H15FN4O2S2
Molecular Weight366.44 g/mol
Exact Mass366.06
IUPAC Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2S2/c16-12-3-1-11(2-4-12)14(22)20-7-5-19(6-8-20)13(21)9-23-15-18-17-10-24-15/h1-4,10H,5-9H2
InChIKeyNQGXHAPFIIOEIU-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 87015318) is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is NQGXHAPFIIOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S2/c16-12-3-1-11(2-4-12)14(22)20-7-5-19(6-8-20)13(21)9-23-15-18-17-10-24-15/h1-4,10H,5-9H2.
What are the key properties of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 366.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 87015318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).