3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole

C21H24N4OS — CID 43949793

IUPAC3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole
SMILESCc1ccc(COc2nsnc2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4OS/c1-17-7-9-19(10-8-17)16-26-21-20(22-27-23-21)25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyXZGMPSVGQSSFAB-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole

3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 43949793) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole
PubChem CID43949793
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole
SMILESCc1ccc(COc2nsnc2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4OS/c1-17-7-9-19(10-8-17)16-26-21-20(22-27-23-21)25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyXZGMPSVGQSSFAB-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949502
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493078
(5E)-2-(4-benzylpiperazin-1-yl)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 5293900
4-[4-[[3-(dimethylamino)phenyl]methoxy]-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493461
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole (CID 43949793) is 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole is Cc1ccc(COc2nsnc2N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is XZGMPSVGQSSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-17-7-9-19(10-8-17)16-26-21-20(22-27-23-21)25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole?
3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 380.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-4-[(4-methylphenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 43949793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).