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

C15H20N4OS — CID 171335535

IUPAC3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)15-16-14(11-20-2)17-21-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyQJJOPJFKIOPIBS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.32
Rot. Bonds4

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

3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 171335535) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID171335535
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)15-16-14(11-20-2)17-21-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyQJJOPJFKIOPIBS-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
3-(methoxymethyl)-5-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 129471048
3-ethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 133328698
3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163344412
3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
5-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133495967
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 133335313

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 171335535) is 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is QJJOPJFKIOPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)15-16-14(11-20-2)17-21-15/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 171335535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).