7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H14N4OS — CID 7131503

IUPAC7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCNCC2)nc2sccn12
InChIInChI=1S/C11H14N4OS/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11/h5-7,12H,1-4,8H2
InChIKeyAJUYJZMIDWFGQL-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.16
Rot. Bonds2

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

7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7131503) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7131503
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCNCC2)nc2sccn12
InChIInChI=1S/C11H14N4OS/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11/h5-7,12H,1-4,8H2
InChIKeyAJUYJZMIDWFGQL-UHFFFAOYSA-N
XLogP0.16
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7131503) is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCNCC2)nc2sccn12.
What is the InChIKey of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AJUYJZMIDWFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11/h5-7,12H,1-4,8H2.
What are the key properties of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 250.33 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7131503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).