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

C19H14N6O2S — CID 102567072

IUPAC6-(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
SMILESCc1nc2ccccn2c1-c1nnc2sc(C3COc4ccccc4O3)nn12
InChIInChI=1S/C19H14N6O2S/c1-11-16(24-9-5-4-8-15(24)20-11)17-21-22-19-25(17)23-18(28-19)14-10-26-12-6-2-3-7-13(12)27-14/h2-9,14H,10H2,1H3
InChIKeyRIBFDEQEQSGWNJ-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.32
Rot. Bonds2

About 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

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 (PubChem CID 102567072) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID102567072
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name6-(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
SMILESCc1nc2ccccn2c1-c1nnc2sc(C3COc4ccccc4O3)nn12
InChIInChI=1S/C19H14N6O2S/c1-11-16(24-9-5-4-8-15(24)20-11)17-21-22-19-25(17)23-18(28-19)14-10-26-12-6-2-3-7-13(12)27-14/h2-9,14H,10H2,1H3
InChIKeyRIBFDEQEQSGWNJ-UHFFFAOYSA-N
XLogP3.32
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccccn2c1-c1nnc2sc(C3COc4ccccc4O3)nn12.
What is the InChIKey of 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?
The InChIKey is RIBFDEQEQSGWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c1-11-16(24-9-5-4-8-15(24)20-11)17-21-22-19-25(17)23-18(28-19)14-10-26-12-6-2-3-7-13(12)27-14/h2-9,14H,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 390.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102567072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).