5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole

C21H23ClN4O2S — CID 163212403

IUPAC5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccc(OC)c(N2CCN(Cc3nnsc3-c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H23ClN4O2S/c1-27-15-7-8-20(28-2)19(13-15)26-11-9-25(10-12-26)14-18-21(29-24-23-18)16-5-3-4-6-17(16)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLZBXMXYSKRQUSK-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.20
Rot. Bonds6

About 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole

5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 163212403) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID163212403
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccc(OC)c(N2CCN(Cc3nnsc3-c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H23ClN4O2S/c1-27-15-7-8-20(28-2)19(13-15)26-11-9-25(10-12-26)14-18-21(29-24-23-18)16-5-3-4-6-17(16)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLZBXMXYSKRQUSK-UHFFFAOYSA-N
XLogP4.20
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole with MolForge

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Related Compounds

5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212406
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
1-[(3S)-5-(2-chlorophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 98401775
2-benzyl-4-chloro-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 55346574
N'-(3-chloro-4-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342625
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
CID 56820417
2,4-dibromo-3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 18403837

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole (CID 163212403) is 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole is COc1ccc(OC)c(N2CCN(Cc3nnsc3-c3ccccc3Cl)CC2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is LZBXMXYSKRQUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-27-15-7-8-20(28-2)19(13-15)26-11-9-25(10-12-26)14-18-21(29-24-23-18)16-5-3-4-6-17(16)22/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 430.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 163212403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).