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

C10H12N2O2S — CID 135401417

IUPAC6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(O)nc2sccn2c1=O
InChIInChI=1S/C10H12N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h5-6,13H,2-4H2,1H3
InChIKeySKMOWNLPWITQSO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.80
Rot. Bonds3

About 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135401417) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135401417
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(O)nc2sccn2c1=O
InChIInChI=1S/C10H12N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h5-6,13H,2-4H2,1H3
InChIKeySKMOWNLPWITQSO-UHFFFAOYSA-N
XLogP1.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135401417) is 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCc1c(O)nc2sccn2c1=O.
What is the InChIKey of 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SKMOWNLPWITQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h5-6,13H,2-4H2,1H3.
What are the key properties of 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 224.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).