6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C13H9N3OS2 — CID 130402836

IUPAC6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3csc4ccccc34)nc2s1
InChIInChI=1S/C13H9N3OS2/c1-17-13-15-16-6-10(14-12(16)19-13)9-7-18-11-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyLRWRVJFEHHAKQE-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.68
Rot. Bonds2

About 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 130402836) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID130402836
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3csc4ccccc34)nc2s1
InChIInChI=1S/C13H9N3OS2/c1-17-13-15-16-6-10(14-12(16)19-13)9-7-18-11-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyLRWRVJFEHHAKQE-UHFFFAOYSA-N
XLogP3.68
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 130402836) is 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1nn2cc(-c3csc4ccccc34)nc2s1.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is LRWRVJFEHHAKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-17-13-15-16-6-10(14-12(16)19-13)9-7-18-11-5-3-2-4-8(9)11/h2-7H,1H3.
What are the key properties of 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 287.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 130402836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).