(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid

C7H7N2O4PS2 — CID 70530987

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid
SMILESO=c1cc(CSP(=O)(O)O)nc2sccn12
InChIInChI=1S/C7H7N2O4PS2/c10-6-3-5(4-16-14(11,12)13)8-7-9(6)1-2-15-7/h1-3H,4H2,(H2,11,12,13)
InChIKeyYHORMSLOVGGCDF-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.08
Rot. Bonds3

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid (PubChem CID 70530987) has the molecular formula C7H7N2O4PS2 and a molecular weight of 278.25 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid
PubChem CID70530987
Molecular FormulaC7H7N2O4PS2
Molecular Weight278.25 g/mol
Exact Mass277.96
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid
SMILESO=c1cc(CSP(=O)(O)O)nc2sccn12
InChIInChI=1S/C7H7N2O4PS2/c10-6-3-5(4-16-14(11,12)13)8-7-9(6)1-2-15-7/h1-3H,4H2,(H2,11,12,13)
InChIKeyYHORMSLOVGGCDF-UHFFFAOYSA-N
XLogP1.08
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid 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 (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid (CID 70530987) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid is O=c1cc(CSP(=O)(O)O)nc2sccn12.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid?
The InChIKey is YHORMSLOVGGCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O4PS2/c10-6-3-5(4-16-14(11,12)13)8-7-9(6)1-2-15-7/h1-3H,4H2,(H2,11,12,13).
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid has a molecular weight of 278.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylphosphonic acid is sourced from PubChem (CID 70530987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).