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

C25H20N6S — CID 100828038

IUPAC6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C25H20N6S/c1-17-21(30-16-10-9-15-20(30)26-17)22-27-28-24-31(22)29-23(32-24)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,1-2H3
InChIKeyJVQYTHIWEFYJQL-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.16
Rot. Bonds4

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

6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 100828038) has the molecular formula C25H20N6S and a molecular weight of 436.54 g/mol. Its IUPAC name is 6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID100828038
Molecular FormulaC25H20N6S
Molecular Weight436.54 g/mol
Exact Mass436.15
IUPAC Name6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C25H20N6S/c1-17-21(30-16-10-9-15-20(30)26-17)22-27-28-24-31(22)29-23(32-24)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,1-2H3
InChIKeyJVQYTHIWEFYJQL-UHFFFAOYSA-N
XLogP5.16
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(1,1-diphenylethyl)-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

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
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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
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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
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3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 102567072
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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6-[(2,4-dibromo-6-methylphenoxy)methyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-diphenylethyl)-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-(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) is 6-(1,1-diphenylethyl)-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-(1,1-diphenylethyl)-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-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc2ccccn2c1-c1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12.
What is the InChIKey of 6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JVQYTHIWEFYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6S/c1-17-21(30-16-10-9-15-20(30)26-17)22-27-28-24-31(22)29-23(32-24)25(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,1-2H3.
What are the key properties of 6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1,1-diphenylethyl)-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 436.54 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-diphenylethyl)-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 100828038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).