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

C20H19FN4OS — CID 54580237

IUPAC2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C20H19FN4OS/c21-17-9-5-4-8-16(17)14-18(26)24-10-12-25(13-11-24)20-22-19(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyWXQSNGSOFFPUSE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.24
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 54580237) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID54580237
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C20H19FN4OS/c21-17-9-5-4-8-16(17)14-18(26)24-10-12-25(13-11-24)20-22-19(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyWXQSNGSOFFPUSE-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055756
(4-Fluorophenyl)[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 2809978
(2,4-Difluorophenyl)[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 2809979
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
CID 78225484
4-(cyclopropylcarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46983544
2-(4-fluorophenyl)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 134793385
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-pentylbenzamide
CID 3939912
[4-[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 3884619
[4-(3-Benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 4029449
[4-[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(4-hexylphenyl)methanone
CID 4320497
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-pentylacetamide
CID 4326975
2-(4-fluorophenyl)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 4430720

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 54580237) is 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is WXQSNGSOFFPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-17-9-5-4-8-16(17)14-18(26)24-10-12-25(13-11-24)20-22-19(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 54580237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).