3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole

C16H22N4OS — CID 133372821

IUPAC3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(c3ccccc3C)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-5-3-4-6-14(13)19-8-10-20(11-9-19)16-17-15(18-22-16)7-12-21-2/h3-6H,7-12H2,1-2H3
InChIKeyAFKNAPYHABEURF-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole

3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133372821) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133372821
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(c3ccccc3C)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-5-3-4-6-14(13)19-8-10-20(11-9-19)16-17-15(18-22-16)7-12-21-2/h3-6H,7-12H2,1-2H3
InChIKeyAFKNAPYHABEURF-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
CID 133358321
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133358183
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
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
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 133358953
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133372821) is 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CCN(c3ccccc3C)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is AFKNAPYHABEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-5-3-4-6-14(13)19-8-10-20(11-9-19)16-17-15(18-22-16)7-12-21-2/h3-6H,7-12H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 318.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).