2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole

C18H27N3S — CID 163872627

IUPAC2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1c(C2CCCCCCC2)nc2sc(C3CCCCC3)nn12
InChIInChI=1S/C18H27N3S/c1-2-5-9-14(10-6-3-1)16-13-21-18(19-16)22-17(20-21)15-11-7-4-8-12-15/h13-15H,1-12H2
InChIKeyPMEJOWUOMYGTIC-UHFFFAOYSA-N
MW317.50 g/mol
LogP5.67
Rot. Bonds2

About 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole

2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 163872627) has the molecular formula C18H27N3S and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID163872627
Molecular FormulaC18H27N3S
Molecular Weight317.50 g/mol
Exact Mass317.19
IUPAC Name2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1c(C2CCCCCCC2)nc2sc(C3CCCCC3)nn12
InChIInChI=1S/C18H27N3S/c1-2-5-9-14(10-6-3-1)16-13-21-18(19-16)22-17(20-21)15-11-7-4-8-12-15/h13-15H,1-12H2
InChIKeyPMEJOWUOMYGTIC-UHFFFAOYSA-N
XLogP5.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole (CID 163872627) is 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole is c1c(C2CCCCCCC2)nc2sc(C3CCCCC3)nn12.
What is the InChIKey of 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PMEJOWUOMYGTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3S/c1-2-5-9-14(10-6-3-1)16-13-21-18(19-16)22-17(20-21)15-11-7-4-8-12-15/h13-15H,1-12H2.
What are the key properties of 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole?
2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 317.50 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 163872627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).