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

C15H17FN4OS — CID 133333010

IUPAC[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nsc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H17FN4OS/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyOSOLFYJTQCJDNU-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.20
Rot. Bonds3

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

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 133333010) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID133333010
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nsc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H17FN4OS/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyOSOLFYJTQCJDNU-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332965
(4-bromophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 4272588
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 71989309
(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 133335458
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 133333041
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
[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
(3-chlorophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 133328581
(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133335459
[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 3628935

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 133333010) is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is CCc1nsc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OSOLFYJTQCJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 133333010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).