7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H21N3OS — CID 9265078

IUPAC7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNC2CCCCCCC2)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
InChIKeyLUTZMLFUADJQCC-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.96
Rot. Bonds3

About 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9265078) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9265078
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNC2CCCCCCC2)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
InChIKeyLUTZMLFUADJQCC-UHFFFAOYSA-N
XLogP2.96
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9265078) is 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNC2CCCCCCC2)nc2sccn12.
What is the InChIKey of 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LUTZMLFUADJQCC-UHFFFAOYSA-N. 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.
What are the key properties of 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclooctylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9265078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).