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

C11H12N4O2S — CID 2657086

IUPAC7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1CN(Cc2cc(=O)n3ccsc3n2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-7-14(2-1-12-9)6-8-5-10(17)15-3-4-18-11(15)13-8/h3-5H,1-2,6-7H2,(H,12,16)
InChIKeyIUAJRWSQIDCDSA-UHFFFAOYSA-N
MW264.31 g/mol
LogP-0.31
Rot. Bonds2

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

7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2657086) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2657086
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1CN(Cc2cc(=O)n3ccsc3n2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-7-14(2-1-12-9)6-8-5-10(17)15-3-4-18-11(15)13-8/h3-5H,1-2,6-7H2,(H,12,16)
InChIKeyIUAJRWSQIDCDSA-UHFFFAOYSA-N
XLogP-0.31
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2657086) is 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C1CN(Cc2cc(=O)n3ccsc3n2)CCN1.
What is the InChIKey of 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IUAJRWSQIDCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-9-7-14(2-1-12-9)6-8-5-10(17)15-3-4-18-11(15)13-8/h3-5H,1-2,6-7H2,(H,12,16).
What are the key properties of 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2657086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).