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

C19H16N6OS — CID 100828048

IUPAC3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cccc(OCc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1
InChIInChI=1S/C19H16N6OS/c1-12-6-5-7-14(10-12)26-11-16-23-25-18(21-22-19(25)27-16)17-13(2)20-15-8-3-4-9-24(15)17/h3-10H,11H2,1-2H3
InChIKeyRZBXBCYLOQBFNC-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.70
Rot. Bonds4

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

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 100828048) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID100828048
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cccc(OCc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1
InChIInChI=1S/C19H16N6OS/c1-12-6-5-7-14(10-12)26-11-16-23-25-18(21-22-19(25)27-16)17-13(2)20-15-8-3-4-9-24(15)17/h3-10H,11H2,1-2H3
InChIKeyRZBXBCYLOQBFNC-UHFFFAOYSA-N
XLogP3.70
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 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) is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1cccc(OCc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RZBXBCYLOQBFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-6-5-7-14(10-12)26-11-16-23-25-18(21-22-19(25)27-16)17-13(2)20-15-8-3-4-9-24(15)17/h3-10H,11H2,1-2H3.
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 376.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 100828048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).