6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

C15H19N3S — CID 56692613

IUPAC6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(C34CC5CC(CC(C5)C3)C4)nc2s1
InChIInChI=1S/C15H19N3S/c1-9-17-18-8-13(16-14(18)19-9)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3
InChIKeyWBCIXSCOZFGQBP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.57
Rot. Bonds1

About 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole

6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 56692613) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID56692613
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(C34CC5CC(CC(C5)C3)C4)nc2s1
InChIInChI=1S/C15H19N3S/c1-9-17-18-8-13(16-14(18)19-9)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3
InChIKeyWBCIXSCOZFGQBP-UHFFFAOYSA-N
XLogP3.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 56692613) is 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(C34CC5CC(CC(C5)C3)C4)nc2s1.
What is the InChIKey of 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WBCIXSCOZFGQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-9-17-18-8-13(16-14(18)19-9)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3.
What are the key properties of 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 273.40 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 56692613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).