6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H14N4OS — CID 663145

IUPAC6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(C4CCCCC4)nn23)c1
InChIInChI=1S/C13H14N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h4,7-9H,1-3,5-6H2
InChIKeySWTUPSNBTSPBIH-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.49
Rot. Bonds2

About 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 663145) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID663145
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(C4CCCCC4)nn23)c1
InChIInChI=1S/C13H14N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h4,7-9H,1-3,5-6H2
InChIKeySWTUPSNBTSPBIH-UHFFFAOYSA-N
XLogP3.49
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 663145) is 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1.
What is the InChIKey of 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SWTUPSNBTSPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h4,7-9H,1-3,5-6H2.
What are the key properties of 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 274.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 663145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).