6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C8H8N2OS — CID 162749078

IUPAC6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cnc2sccn2c1=O
InChIInChI=1S/C8H8N2OS/c1-2-6-5-9-8-10(7(6)11)3-4-12-8/h3-5H,2H2,1H3
InChIKeyRRIAWCWJHVJULT-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.32
Rot. Bonds1

About 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 162749078) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID162749078
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cnc2sccn2c1=O
InChIInChI=1S/C8H8N2OS/c1-2-6-5-9-8-10(7(6)11)3-4-12-8/h3-5H,2H2,1H3
InChIKeyRRIAWCWJHVJULT-UHFFFAOYSA-N
XLogP1.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 162749078) is 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1cnc2sccn2c1=O.
What is the InChIKey of 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RRIAWCWJHVJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-6-5-9-8-10(7(6)11)3-4-12-8/h3-5H,2H2,1H3.
What are the key properties of 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 180.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 162749078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).