[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

C6H4N2O2S — CID 15375145

IUPAC[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2C=CSC2=N1
InChIInChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-2H,3H2
InChIKeyLGYIZEAWJWWGFE-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.32
Rot. Bonds

About [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 15375145) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID15375145
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2C=CSC2=N1
InChIInChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-2H,3H2
InChIKeyLGYIZEAWJWWGFE-UHFFFAOYSA-N
XLogP0.32
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 15375145) is [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is O=C1CC(=O)N2C=CSC2=N1.
What is the InChIKey of [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is LGYIZEAWJWWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-4-3-5(10)8-1-2-11-6(8)7-4/h1-2H,3H2.
What are the key properties of [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 168.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 15375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).