6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H16N4O2S — CID 17248300

IUPAC6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H16N4O2S/c1-2-15-3-5-16(6-4-15)11(18)10-9-14-13-17(12(10)19)7-8-20-13/h7-9H,2-6H2,1H3
InChIKeyOIWKQMICXBXPAZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.53
Rot. Bonds2

About 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17248300) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17248300
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H16N4O2S/c1-2-15-3-5-16(6-4-15)11(18)10-9-14-13-17(12(10)19)7-8-20-13/h7-9H,2-6H2,1H3
InChIKeyOIWKQMICXBXPAZ-UHFFFAOYSA-N
XLogP0.53
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17248300) is 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OIWKQMICXBXPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-15-3-5-16(6-4-15)11(18)10-9-14-13-17(12(10)19)7-8-20-13/h7-9H,2-6H2,1H3.
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.36 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17248300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).