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

C18H14N4OS2 — CID 155817137

IUPAC2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4cccs4)nc3s1)cn2C
InChIInChI=1S/C18H14N4OS2/c1-21-9-13(12-8-11(23-2)5-6-15(12)21)17-20-22-10-14(19-18(22)25-17)16-4-3-7-24-16/h3-10H,1-2H3
InChIKeyUSQDKHZJYQMITA-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.69
Rot. Bonds3

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

2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 155817137) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID155817137
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4cccs4)nc3s1)cn2C
InChIInChI=1S/C18H14N4OS2/c1-21-9-13(12-8-11(23-2)5-6-15(12)21)17-20-22-10-14(19-18(22)25-17)16-4-3-7-24-16/h3-10H,1-2H3
InChIKeyUSQDKHZJYQMITA-UHFFFAOYSA-N
XLogP4.69
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.69
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-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 155817137) is 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is COc1ccc2c(c1)c(-c1nn3cc(-c4cccs4)nc3s1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is USQDKHZJYQMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-21-9-13(12-8-11(23-2)5-6-15(12)21)17-20-22-10-14(19-18(22)25-17)16-4-3-7-24-16/h3-10H,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(5-methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 366.47 g/mol, XLogP of 4.69, 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-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 155817137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).