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

C13H12N2O2S — CID 135415833

IUPAC6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2n1CCS2
InChIInChI=1S/C13H12N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-5,16H,6-8H2
InChIKeyLQOFYZNLENVWIC-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.65
Rot. Bonds2

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

6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135415833) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135415833
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2n1CCS2
InChIInChI=1S/C13H12N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-5,16H,6-8H2
InChIKeyLQOFYZNLENVWIC-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135415833) is 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(Cc2ccccc2)c(O)nc2n1CCS2.
What is the InChIKey of 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LQOFYZNLENVWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-5,16H,6-8H2.
What are the key properties of 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 260.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135415833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).