cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C15H22N3OS+ — CID 9265077

IUPACcyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESO=c1cc(C[NH2+]C2CCCCCCC2)nc2sccn12
InChIInChI=1S/C15H21N3OS/c19-14-10-13(17-15-18(14)8-9-20-15)11-16-12-6-4-2-1-3-5-7-12/h8-10,12,16H,1-7,11H2/p+1
InChIKeyLUTZMLFUADJQCC-UHFFFAOYSA-O
MW292.43 g/mol
LogP1.93
Rot. Bonds3

About cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 9265077) has the molecular formula C15H22N3OS+ and a molecular weight of 292.43 g/mol. Its IUPAC name is cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID9265077
Molecular FormulaC15H22N3OS+
Molecular Weight292.43 g/mol
Exact Mass292.15
IUPAC Namecyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESO=c1cc(C[NH2+]C2CCCCCCC2)nc2sccn12
InChIInChI=1S/C15H21N3OS/c19-14-10-13(17-15-18(14)8-9-20-15)11-16-12-6-4-2-1-3-5-7-12/h8-10,12,16H,1-7,11H2/p+1
InChIKeyLUTZMLFUADJQCC-UHFFFAOYSA-O
XLogP1.93
TPSA50.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 9265077) is cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is O=c1cc(C[NH2+]C2CCCCCCC2)nc2sccn12.
What is the InChIKey of cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is LUTZMLFUADJQCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3OS/c19-14-10-13(17-15-18(14)8-9-20-15)11-16-12-6-4-2-1-3-5-7-12/h8-10,12,16H,1-7,11H2/p+1.
What are the key properties of cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 292.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 9265077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).