5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C19H24N6O2S — CID 133335313

IUPAC5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)cc4)no3)CC2)n1
InChIInChI=1S/C19H24N6O2S/c1-13-4-6-15(7-5-13)17-21-18(27-22-17)14(2)24-8-10-25(11-9-24)19-20-16(12-26-3)23-28-19/h4-7,14H,8-12H2,1-3H3
InChIKeyVDQOTSPMLMFKQA-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.93
Rot. Bonds6

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

5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 133335313) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID133335313
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)cc4)no3)CC2)n1
InChIInChI=1S/C19H24N6O2S/c1-13-4-6-15(7-5-13)17-21-18(27-22-17)14(2)24-8-10-25(11-9-24)19-20-16(12-26-3)23-28-19/h4-7,14H,8-12H2,1-3H3
InChIKeyVDQOTSPMLMFKQA-UHFFFAOYSA-N
XLogP2.93
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(1S)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51952933
3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 126771667
5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
5-[(1R)-1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51939519
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
3-(methoxymethyl)-5-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 129471048
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 133335313) is 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is COCc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)cc4)no3)CC2)n1.
What is the InChIKey of 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VDQOTSPMLMFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13-4-6-15(7-5-13)17-21-18(27-22-17)14(2)24-8-10-25(11-9-24)19-20-16(12-26-3)23-28-19/h4-7,14H,8-12H2,1-3H3.
What are the key properties of 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 400.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133335313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).