1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C17H18N4O2S — CID 136528844

IUPAC1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1
InChIInChI=1S/C17H18N4O2S/c1-2-15-18-17(24-19-15)21-9-7-20(8-10-21)16(22)13-11-23-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3
InChIKeyNGMLDNFQWNMCAS-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds3

About 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 136528844) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID136528844
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1
InChIInChI=1S/C17H18N4O2S/c1-2-15-18-17(24-19-15)21-9-7-20(8-10-21)16(22)13-11-23-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3
InChIKeyNGMLDNFQWNMCAS-UHFFFAOYSA-N
XLogP2.81
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 133328573
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133333033
(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119947337
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 133332975
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
(4-bromophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332965
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 3951512
2-(1-benzofuran-2-yl)-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 126793205
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 71989309
(3-chlorophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 133328581
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 90673468

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 136528844) is 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is CCc1nsc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1.
What is the InChIKey of 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is NGMLDNFQWNMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-15-18-17(24-19-15)21-9-7-20(8-10-21)16(22)13-11-23-14-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136528844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).