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

C6H5N3OS — CID 146050234

IUPAC5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1cc(=O)nc2sccn12
InChIInChI=1S/C6H5N3OS/c7-4-3-5(10)8-6-9(4)1-2-11-6/h1-3H,7H2
InChIKeyOQEGNWWCQNGYQA-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.34
Rot. Bonds

About 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 146050234) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID146050234
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1cc(=O)nc2sccn12
InChIInChI=1S/C6H5N3OS/c7-4-3-5(10)8-6-9(4)1-2-11-6/h1-3H,7H2
InChIKeyOQEGNWWCQNGYQA-UHFFFAOYSA-N
XLogP0.34
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 146050234) is 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one is Nc1cc(=O)nc2sccn12.
What is the InChIKey of 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is OQEGNWWCQNGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-4-3-5(10)8-6-9(4)1-2-11-6/h1-3H,7H2.
What are the key properties of 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 167.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 146050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).