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

C11H15ClN4OS — CID 24761831

IUPAC7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC2)nc2sccn12
InChIInChI=1S/C11H14N4OS.ClH/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;1H
InChIKeyRVPVIWFXZZITMW-UHFFFAOYSA-N
MW286.79 g/mol
LogP0.58
Rot. Bonds2

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

7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 24761831) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID24761831
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC2)nc2sccn12
InChIInChI=1S/C11H14N4OS.ClH/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;1H
InChIKeyRVPVIWFXZZITMW-UHFFFAOYSA-N
XLogP0.58
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 24761831) is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(CN2CCNCC2)nc2sccn12.
What is the InChIKey of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is RVPVIWFXZZITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS.ClH/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;1H.
What are the key properties of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 286.79 g/mol, XLogP of 0.58, 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;hydrochloride is sourced from PubChem (CID 24761831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).