2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C10H12N4O2S — CID 55171116

IUPAC2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN3CC(O)C3)sc2n1
InChIInChI=1S/C10H12N4O2S/c1-6-2-9(16)14-10(11-6)17-8(12-14)5-13-3-7(15)4-13/h2,7,15H,3-5H2,1H3
InChIKeyLYZZWJLKQKTJES-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.36
Rot. Bonds2

About 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55171116) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID55171116
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN3CC(O)C3)sc2n1
InChIInChI=1S/C10H12N4O2S/c1-6-2-9(16)14-10(11-6)17-8(12-14)5-13-3-7(15)4-13/h2,7,15H,3-5H2,1H3
InChIKeyLYZZWJLKQKTJES-UHFFFAOYSA-N
XLogP-0.36
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 55171116) is 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(CN3CC(O)C3)sc2n1.
What is the InChIKey of 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LYZZWJLKQKTJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-2-9(16)14-10(11-6)17-8(12-14)5-13-3-7(15)4-13/h2,7,15H,3-5H2,1H3.
What are the key properties of 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 252.30 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyazetidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55171116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).