2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

C8H9N3O2S — CID 58333752

IUPAC2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESCCCc1nc2c(=O)[nH]c(=O)[nH]c2s1
InChIInChI=1S/C8H9N3O2S/c1-2-3-4-9-5-6(12)10-8(13)11-7(5)14-4/h2-3H2,1H3,(H2,10,11,12,13)
InChIKeyBRLNJGLQVQVGSZ-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.63
Rot. Bonds2

About 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (PubChem CID 58333752) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
PubChem CID58333752
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESCCCc1nc2c(=O)[nH]c(=O)[nH]c2s1
InChIInChI=1S/C8H9N3O2S/c1-2-3-4-9-5-6(12)10-8(13)11-7(5)14-4/h2-3H2,1H3,(H2,10,11,12,13)
InChIKeyBRLNJGLQVQVGSZ-UHFFFAOYSA-N
XLogP0.63
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propyl-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-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The IUPAC name of 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (CID 58333752) is 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is CCCc1nc2c(=O)[nH]c(=O)[nH]c2s1.
What is the InChIKey of 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The InChIKey is BRLNJGLQVQVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-3-4-9-5-6(12)10-8(13)11-7(5)14-4/h2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione has a molecular weight of 211.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 58333752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).