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

C6H4N2O2S — CID 135456273

IUPAC7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(O)nc2sccn12
InChIInChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-3,9H
InChIKeyZKTPOKCGJAGSAH-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.46
Rot. Bonds

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

7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135456273) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135456273
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(O)nc2sccn12
InChIInChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-3,9H
InChIKeyZKTPOKCGJAGSAH-UHFFFAOYSA-N
XLogP0.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135456273) is 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(O)nc2sccn12.
What is the InChIKey of 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZKTPOKCGJAGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-3,9H.
What are the key properties of 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 168.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135456273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).