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

C15H10N6OS — CID 100828104

IUPAC6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3ccco3)nn12
InChIInChI=1S/C15H10N6OS/c1-9-12(20-7-3-2-6-11(20)16-9)13-17-18-15-21(13)19-14(23-15)10-5-4-8-22-10/h2-8H,1H3
InChIKeyAJRKKYGDTSQTSW-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.07
Rot. Bonds2

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

6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 100828104) has the molecular formula C15H10N6OS and a molecular weight of 322.35 g/mol. Its IUPAC name is 6-(furan-2-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-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID100828104
Molecular FormulaC15H10N6OS
Molecular Weight322.35 g/mol
Exact Mass322.06
IUPAC Name6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3ccco3)nn12
InChIInChI=1S/C15H10N6OS/c1-9-12(20-7-3-2-6-11(20)16-9)13-17-18-15-21(13)19-14(23-15)10-5-4-8-22-10/h2-8H,1H3
InChIKeyAJRKKYGDTSQTSW-UHFFFAOYSA-N
XLogP3.07
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-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-(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) is 6-(furan-2-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-(furan-2-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-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc2ccccn2c1-c1nnc2sc(-c3ccco3)nn12.
What is the InChIKey of 6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AJRKKYGDTSQTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6OS/c1-9-12(20-7-3-2-6-11(20)16-9)13-17-18-15-21(13)19-14(23-15)10-5-4-8-22-10/h2-8H,1H3.
What are the key properties of 6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(furan-2-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 322.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-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 100828104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).