7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C6H6N2OS — CID 58191075

IUPAC7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1CSC2=NCC=CN12
InChIInChI=1S/C6H6N2OS/c9-5-4-10-6-7-2-1-3-8(5)6/h1,3H,2,4H2
InChIKeyQNDHVFOQMNRBLS-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.45
Rot. Bonds

About 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 58191075) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID58191075
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1CSC2=NCC=CN12
InChIInChI=1S/C6H6N2OS/c9-5-4-10-6-7-2-1-3-8(5)6/h1,3H,2,4H2
InChIKeyQNDHVFOQMNRBLS-UHFFFAOYSA-N
XLogP0.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 58191075) is 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1CSC2=NCC=CN12.
What is the InChIKey of 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is QNDHVFOQMNRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c9-5-4-10-6-7-2-1-3-8(5)6/h1,3H,2,4H2.
What are the key properties of 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 154.19 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 58191075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).