5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C7H7N3OS — CID 122697190

IUPAC5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCc1ncc2sc(=O)[nH]c2n1
InChIInChI=1S/C7H7N3OS/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyHMUVZRDAOJTKIJ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.94
Rot. Bonds1

About 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 122697190) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID122697190
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCc1ncc2sc(=O)[nH]c2n1
InChIInChI=1S/C7H7N3OS/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyHMUVZRDAOJTKIJ-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 122697190) is 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CCc1ncc2sc(=O)[nH]c2n1.
What is the InChIKey of 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is HMUVZRDAOJTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 181.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 122697190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).