6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C13H10N4OS — CID 147244081

IUPAC6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4ccccn4c3)nc2s1
InChIInChI=1S/C13H10N4OS/c1-18-13-15-17-8-11(14-12(17)19-13)9-6-10-4-2-3-5-16(10)7-9/h2-8H,1H3
InChIKeyCLIUNTYOUFSAPQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.72
Rot. Bonds2

About 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 147244081) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID147244081
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cc4ccccn4c3)nc2s1
InChIInChI=1S/C13H10N4OS/c1-18-13-15-17-8-11(14-12(17)19-13)9-6-10-4-2-3-5-16(10)7-9/h2-8H,1H3
InChIKeyCLIUNTYOUFSAPQ-UHFFFAOYSA-N
XLogP2.72
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 147244081) is 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1nn2cc(-c3cc4ccccn4c3)nc2s1.
What is the InChIKey of 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CLIUNTYOUFSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-18-13-15-17-8-11(14-12(17)19-13)9-6-10-4-2-3-5-16(10)7-9/h2-8H,1H3.
What are the key properties of 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 270.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 147244081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).