7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C10H11N5O2S — CID 42936215

IUPAC7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCNC(=O)C3)sc2n1
InChIInChI=1S/C10H11N5O2S/c1-6-4-8(17)15-9(12-6)18-10(13-15)14-3-2-11-7(16)5-14/h4H,2-3,5H2,1H3,(H,11,16)
InChIKeyNKODGUIFHMLWLS-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.60
Rot. Bonds1

About 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42936215) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID42936215
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCNC(=O)C3)sc2n1
InChIInChI=1S/C10H11N5O2S/c1-6-4-8(17)15-9(12-6)18-10(13-15)14-3-2-11-7(16)5-14/h4H,2-3,5H2,1H3,(H,11,16)
InChIKeyNKODGUIFHMLWLS-UHFFFAOYSA-N
XLogP-0.60
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 42936215) is 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCNC(=O)C3)sc2n1.
What is the InChIKey of 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NKODGUIFHMLWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-6-4-8(17)15-9(12-6)18-10(13-15)14-3-2-11-7(16)5-14/h4H,2-3,5H2,1H3,(H,11,16).
What are the key properties of 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 265.30 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42936215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).