7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15N3O3S — CID 126469246

IUPAC7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C13H15N3O3S/c1-2-9-10(11(18)15-4-3-8(17)7-15)12(19)16-5-6-20-13(16)14-9/h5-6,8,17H,2-4,7H2,1H3
InChIKeyUVQLHBBSOZZWPG-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.53
Rot. Bonds2

About 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469246) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469246
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C13H15N3O3S/c1-2-9-10(11(18)15-4-3-8(17)7-15)12(19)16-5-6-20-13(16)14-9/h5-6,8,17H,2-4,7H2,1H3
InChIKeyUVQLHBBSOZZWPG-UHFFFAOYSA-N
XLogP0.53
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469246) is 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1nc2sccn2c(=O)c1C(=O)N1CCC(O)C1.
What is the InChIKey of 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UVQLHBBSOZZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-9-10(11(18)15-4-3-8(17)7-15)12(19)16-5-6-20-13(16)14-9/h5-6,8,17H,2-4,7H2,1H3.
What are the key properties of 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(3-hydroxypyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).