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

C13H10N2O2S — CID 137304098

IUPAC6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2sccn12
InChIInChI=1S/C13H10N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-7,16H,8H2
InChIKeyCWILPYVRWQUFRY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.05
Rot. Bonds2

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

6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 137304098) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID137304098
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2sccn12
InChIInChI=1S/C13H10N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-7,16H,8H2
InChIKeyCWILPYVRWQUFRY-UHFFFAOYSA-N
XLogP2.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853317
7-hydroxy-5-oxo-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853318
6-benzyl-8-(2,3-dihydroxypropyl)-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
CID 10936489
5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 862011
7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135409170
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70581292
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 13243149
5-benzyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one
CID 135418950
7-[(2-benzylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47013557
6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 54414204
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135493467

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 137304098) is 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(Cc2ccccc2)c(O)nc2sccn12.
What is the InChIKey of 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CWILPYVRWQUFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-11-10(8-9-4-2-1-3-5-9)12(17)15-6-7-18-13(15)14-11/h1-7,16H,8H2.
What are the key properties of 6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 258.30 g/mol, XLogP of 2.05, 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-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 137304098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).