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

C12H8N2O2S — CID 21239835

IUPAC3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2C(c3ccccc3)=CSC2=N1
InChIInChI=1S/C12H8N2O2S/c15-10-6-11(16)14-9(7-17-12(14)13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyQDMFPCFQUPFTBS-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.85
Rot. Bonds1

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

3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 21239835) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID21239835
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2C(c3ccccc3)=CSC2=N1
InChIInChI=1S/C12H8N2O2S/c15-10-6-11(16)14-9(7-17-12(14)13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyQDMFPCFQUPFTBS-UHFFFAOYSA-N
XLogP1.85
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.85
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 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 21239835) is 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is O=C1CC(=O)N2C(c3ccccc3)=CSC2=N1.
What is the InChIKey of 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is QDMFPCFQUPFTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-10-6-11(16)14-9(7-17-12(14)13-10)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 244.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 21239835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).