2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C19H15N5OS — CID 171716242

IUPAC2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4cccnc4)nc3s1)cn2C
InChIInChI=1S/C19H15N5OS/c1-23-10-15(14-8-13(25-2)5-6-17(14)23)18-22-24-11-16(21-19(24)26-18)12-4-3-7-20-9-12/h3-11H,1-2H3
InChIKeyVVYRJXADMGDBQV-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.02
Rot. Bonds3

About 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171716242) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171716242
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4cccnc4)nc3s1)cn2C
InChIInChI=1S/C19H15N5OS/c1-23-10-15(14-8-13(25-2)5-6-17(14)23)18-22-24-11-16(21-19(24)26-18)12-4-3-7-20-9-12/h3-11H,1-2H3
InChIKeyVVYRJXADMGDBQV-UHFFFAOYSA-N
XLogP4.02
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 171716242) is 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is COc1ccc2c(c1)c(-c1nn3cc(-c4cccnc4)nc3s1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VVYRJXADMGDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-23-10-15(14-8-13(25-2)5-6-17(14)23)18-22-24-11-16(21-19(24)26-18)12-4-3-7-20-9-12/h3-11H,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 361.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171716242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).