3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole

C9H16N4OS — CID 175647986

IUPAC3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H16N4OS/c1-12-3-5-13(6-4-12)9-10-8(7-14-2)11-15-9/h3-7H2,1-2H3
InChIKeyJMZZRPSPGSAEMD-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds3

About 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole

3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 175647986) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID175647986
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H16N4OS/c1-12-3-5-13(6-4-12)9-10-8(7-14-2)11-15-9/h3-7H2,1-2H3
InChIKeyJMZZRPSPGSAEMD-UHFFFAOYSA-N
XLogP0.44
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.44
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-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171335535
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216
3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 97329516
(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 133335458
3-(methoxymethyl)-5-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163352124
3-(methoxymethyl)-5-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163344412

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (CID 175647986) is 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(C)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is JMZZRPSPGSAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-12-3-5-13(6-4-12)9-10-8(7-14-2)11-15-9/h3-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 228.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 175647986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).