2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

C9H5N3O3S — CID 145436768

IUPAC2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nc(-c3ccco3)sc2[nH]1
InChIInChI=1S/C9H5N3O3S/c13-6-5-8(12-9(14)11-6)16-7(10-5)4-2-1-3-15-4/h1-3H,(H2,11,12,13,14)
InChIKeyGCZSUHJKIOTHTD-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.93
Rot. Bonds1

About 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (PubChem CID 145436768) has the molecular formula C9H5N3O3S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
PubChem CID145436768
Molecular FormulaC9H5N3O3S
Molecular Weight235.22 g/mol
Exact Mass235.01
IUPAC Name2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nc(-c3ccco3)sc2[nH]1
InChIInChI=1S/C9H5N3O3S/c13-6-5-8(12-9(14)11-6)16-7(10-5)4-2-1-3-15-4/h1-3H,(H2,11,12,13,14)
InChIKeyGCZSUHJKIOTHTD-UHFFFAOYSA-N
XLogP0.93
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione 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-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The IUPAC name of 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (CID 145436768) is 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is O=c1[nH]c(=O)c2nc(-c3ccco3)sc2[nH]1.
What is the InChIKey of 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The InChIKey is GCZSUHJKIOTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O3S/c13-6-5-8(12-9(14)11-6)16-7(10-5)4-2-1-3-15-4/h1-3H,(H2,11,12,13,14).
What are the key properties of 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione has a molecular weight of 235.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 145436768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).