5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C13H21N3S — CID 129260270

IUPAC5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCC(CC)Cc1c(C)nc2scnn12
InChIInChI=1S/C13H21N3S/c1-4-6-7-11(5-2)8-12-10(3)15-13-16(12)14-9-17-13/h9,11H,4-8H2,1-3H3
InChIKeyYWZRTGZVQPLIOW-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.86
Rot. Bonds6

About 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 129260270) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID129260270
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCC(CC)Cc1c(C)nc2scnn12
InChIInChI=1S/C13H21N3S/c1-4-6-7-11(5-2)8-12-10(3)15-13-16(12)14-9-17-13/h9,11H,4-8H2,1-3H3
InChIKeyYWZRTGZVQPLIOW-UHFFFAOYSA-N
XLogP3.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 129260270) is 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is CCCCC(CC)Cc1c(C)nc2scnn12.
What is the InChIKey of 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is YWZRTGZVQPLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-4-6-7-11(5-2)8-12-10(3)15-13-16(12)14-9-17-13/h9,11H,4-8H2,1-3H3.
What are the key properties of 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 251.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 129260270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).