7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17ClN2OS — CID 156888750

IUPAC7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cl)nc2sc(C3CCCCCCC3)cn12
InChIInChI=1S/C14H17ClN2OS/c15-12-8-13(18)17-9-11(19-14(17)16-12)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2
InChIKeySOEDJXOUVBPXFP-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.24
Rot. Bonds1

About 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888750) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID156888750
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cl)nc2sc(C3CCCCCCC3)cn12
InChIInChI=1S/C14H17ClN2OS/c15-12-8-13(18)17-9-11(19-14(17)16-12)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2
InChIKeySOEDJXOUVBPXFP-UHFFFAOYSA-N
XLogP4.24
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 156888750) is 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(Cl)nc2sc(C3CCCCCCC3)cn12.
What is the InChIKey of 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SOEDJXOUVBPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-12-8-13(18)17-9-11(19-14(17)16-12)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2.
What are the key properties of 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 296.82 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclooctyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).