6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C20H16N6OS — CID 171132486

IUPAC6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(C=Cc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1
InChIInChI=1S/C20H16N6OS/c1-13-18(25-12-4-3-5-16(25)21-13)19-22-23-20-26(19)24-17(28-20)11-8-14-6-9-15(27-2)10-7-14/h3-12H,1-2H3
InChIKeyZGAQKBLKCPZLFD-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.99
Rot. Bonds4

About 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 171132486) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID171132486
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(C=Cc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1
InChIInChI=1S/C20H16N6OS/c1-13-18(25-12-4-3-5-16(25)21-13)19-22-23-20-26(19)24-17(28-20)11-8-14-6-9-15(27-2)10-7-14/h3-12H,1-2H3
InChIKeyZGAQKBLKCPZLFD-UHFFFAOYSA-N
XLogP3.99
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-6-[2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71947049
6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828038
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91972327
3-tert-butyl-6-[2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3161199
6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828104
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828048
6-(3-iodophenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100827975
3-(4-methoxyphenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6237491
6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828039
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828128
6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 98361777
3-(3,4-dimethoxyphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42647846

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 171132486) is 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(C=Cc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZGAQKBLKCPZLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-13-18(25-12-4-3-5-16(25)21-13)19-22-23-20-26(19)24-17(28-20)11-8-14-6-9-15(27-2)10-7-14/h3-12H,1-2H3.
What are the key properties of 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 388.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 171132486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).