2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C13H11N3OS — CID 118733037

IUPAC2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(Cc3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C13H11N3OS/c1-8-14-12(17)11-13(15-8)18-10(16-11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyQUYOPQXZVQFFFZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.28
Rot. Bonds2

About 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733037) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733037
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(Cc3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C13H11N3OS/c1-8-14-12(17)11-13(15-8)18-10(16-11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyQUYOPQXZVQFFFZ-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733037) is 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1nc2sc(Cc3ccccc3)nc2c(=O)[nH]1.
What is the InChIKey of 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is QUYOPQXZVQFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-14-12(17)11-13(15-8)18-10(16-11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15,17).
What are the key properties of 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 257.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).