2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C9H10N4OS — CID 135629607

IUPAC2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCCC3)sc12
InChIInChI=1S/C9H10N4OS/c14-8-6-7(10-5-11-8)12-9(15-6)13-3-1-2-4-13/h5H,1-4H2,(H,10,11,14)
InChIKeyRZTQBKFTKCSRLE-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.98
Rot. Bonds1

About 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135629607) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135629607
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCCC3)sc12
InChIInChI=1S/C9H10N4OS/c14-8-6-7(10-5-11-8)12-9(15-6)13-3-1-2-4-13/h5H,1-4H2,(H,10,11,14)
InChIKeyRZTQBKFTKCSRLE-UHFFFAOYSA-N
XLogP0.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one 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-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135629607) is 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nc(N3CCCC3)sc12.
What is the InChIKey of 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is RZTQBKFTKCSRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c14-8-6-7(10-5-11-8)12-9(15-6)13-3-1-2-4-13/h5H,1-4H2,(H,10,11,14).
What are the key properties of 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 222.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135629607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).