2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone

C17H21FN4O4S2 — CID 91959112

IUPAC2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2nsnc2-c2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN4O4S2/c1-2-10-28(24,25)22-8-6-21(7-9-22)15(23)12-26-17-16(19-27-20-17)13-4-3-5-14(18)11-13/h3-5,11H,2,6-10,12H2,1H3
InChIKeyBZGPOABEVNCFCQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.61
Rot. Bonds7

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

2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone (PubChem CID 91959112) has the molecular formula C17H21FN4O4S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
PubChem CID91959112
Molecular FormulaC17H21FN4O4S2
Molecular Weight428.51 g/mol
Exact Mass428.10
IUPAC Name2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2nsnc2-c2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN4O4S2/c1-2-10-28(24,25)22-8-6-21(7-9-22)15(23)12-26-17-16(19-27-20-17)13-4-3-5-14(18)11-13/h3-5,11H,2,6-10,12H2,1H3
InChIKeyBZGPOABEVNCFCQ-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 91959140
2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 91959153
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756
2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 159017557
(3-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798366
2-(4-chlorophenoxy)-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798767
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
2-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9094602
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110799511
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
CID 110366193
3-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 110798776

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone (CID 91959112) is 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)COc2nsnc2-c2cccc(F)c2)CC1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is BZGPOABEVNCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4S2/c1-2-10-28(24,25)22-8-6-21(7-9-22)15(23)12-26-17-16(19-27-20-17)13-4-3-5-14(18)11-13/h3-5,11H,2,6-10,12H2,1H3.
What are the key properties of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 428.51 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 91959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).