7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H14N4OS — CID 175874299

IUPAC7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCNC3(CC3)C2)nc2sccn12
InChIInChI=1S/C12H14N4OS/c17-10-7-9(14-11-16(10)5-6-18-11)15-4-3-13-12(8-15)1-2-12/h5-7,13H,1-4,8H2
InChIKeyIKOMCUJNUJVWDR-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.70
Rot. Bonds1

About 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 175874299) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID175874299
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCNC3(CC3)C2)nc2sccn12
InChIInChI=1S/C12H14N4OS/c17-10-7-9(14-11-16(10)5-6-18-11)15-4-3-13-12(8-15)1-2-12/h5-7,13H,1-4,8H2
InChIKeyIKOMCUJNUJVWDR-UHFFFAOYSA-N
XLogP0.70
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 175874299) is 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(N2CCNC3(CC3)C2)nc2sccn12.
What is the InChIKey of 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IKOMCUJNUJVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-10-7-9(14-11-16(10)5-6-18-11)15-4-3-13-12(8-15)1-2-12/h5-7,13H,1-4,8H2.
What are the key properties of 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 262.34 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 175874299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).