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

C15H20N4O2S — CID 133352235

IUPAC3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-20-11-14-16-15(22-17-14)19-9-7-18(8-10-19)12-3-5-13(21-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyJKZBADIZXMJPRB-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.02
Rot. Bonds5

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

3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133352235) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133352235
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-20-11-14-16-15(22-17-14)19-9-7-18(8-10-19)12-3-5-13(21-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyJKZBADIZXMJPRB-UHFFFAOYSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171335535
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-(methoxymethyl)-5-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 129471048
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5211157
3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133358660
(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 133335458
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-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163352124
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133352235) is 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JKZBADIZXMJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-20-11-14-16-15(22-17-14)19-9-7-18(8-10-19)12-3-5-13(21-2)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 320.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133352235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).