2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole

C21H26N4O4S — CID 110217514

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
SMILESCOc1cc(CN2CCCCC2c2nnc(-c3scnc3C)o2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O4S/c1-13-19(30-12-22-13)21-24-23-20(29-21)15-7-5-6-8-25(15)11-14-9-16(26-2)18(28-4)17(10-14)27-3/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyCJXWAANASKQXSB-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.25
Rot. Bonds7

About 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole

2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 110217514) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
PubChem CID110217514
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
SMILESCOc1cc(CN2CCCCC2c2nnc(-c3scnc3C)o2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O4S/c1-13-19(30-12-22-13)21-24-23-20(29-21)15-7-5-6-8-25(15)11-14-9-16(26-2)18(28-4)17(10-14)27-3/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyCJXWAANASKQXSB-UHFFFAOYSA-N
XLogP4.25
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole (CID 110217514) is 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole is COc1cc(CN2CCCCC2c2nnc(-c3scnc3C)o2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is CJXWAANASKQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-13-19(30-12-22-13)21-24-23-20(29-21)15-7-5-6-8-25(15)11-14-9-16(26-2)18(28-4)17(10-14)27-3/h9-10,12,15H,5-8,11H2,1-4H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole?
2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 430.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 110217514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).