5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole

C6H8N4S — CID 156716367

IUPAC5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole
SMILESCC(C)c1nc2nsnc2[nH]1
InChIInChI=1S/C6H8N4S/c1-3(2)4-7-5-6(8-4)10-11-9-5/h3H,1-2H3,(H,7,8,9,10)
InChIKeyXSLIJRTZJGGNRK-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.54
Rot. Bonds1

About 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole

5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole (PubChem CID 156716367) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole.

Molecular Properties

Compound Name5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole
PubChem CID156716367
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole
SMILESCC(C)c1nc2nsnc2[nH]1
InChIInChI=1S/C6H8N4S/c1-3(2)4-7-5-6(8-4)10-11-9-5/h3H,1-2H3,(H,7,8,9,10)
InChIKeyXSLIJRTZJGGNRK-UHFFFAOYSA-N
XLogP1.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole?
The IUPAC name of 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole (CID 156716367) is 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole.
What is the SMILES notation for 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole?
The canonical SMILES for 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole is CC(C)c1nc2nsnc2[nH]1.
What is the InChIKey of 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole?
The InChIKey is XSLIJRTZJGGNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-3(2)4-7-5-6(8-4)10-11-9-5/h3H,1-2H3,(H,7,8,9,10).
What are the key properties of 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole?
5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole has a molecular weight of 168.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6H-imidazo[4,5-c][1,2,5]thiadiazole is sourced from PubChem (CID 156716367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).