5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

C16H22N4OS — CID 133352051

IUPAC5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-21-12-7-15-17-16(22-18-15)20-10-8-19(9-11-20)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyOOEAUAAWQUFHHQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.05
Rot. Bonds6

About 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 133352051) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID133352051
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-21-12-7-15-17-16(22-18-15)20-10-8-19(9-11-20)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyOOEAUAAWQUFHHQ-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369826
5-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369822
3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133372821
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133358183
3-ethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 133328698
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
CID 133358321
3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
(3S)-3-(1-benzyl-1,2,4-triazol-3-yl)-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 124882317
2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
CID 811229
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 133352051) is 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is OOEAUAAWQUFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-21-12-7-15-17-16(22-18-15)20-10-8-19(9-11-20)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 318.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133352051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).