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

C13H15N3O2S — CID 126471326

IUPAC7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCCC1
InChIInChI=1S/C13H15N3O2S/c1-2-9-10(11(17)15-5-3-4-6-15)12(18)16-7-8-19-13(16)14-9/h7-8H,2-6H2,1H3
InChIKeyYSIHEJNBHMJEAF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.55
Rot. Bonds2

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

7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126471326) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126471326
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nc2sccn2c(=O)c1C(=O)N1CCCC1
InChIInChI=1S/C13H15N3O2S/c1-2-9-10(11(17)15-5-3-4-6-15)12(18)16-7-8-19-13(16)14-9/h7-8H,2-6H2,1H3
InChIKeyYSIHEJNBHMJEAF-UHFFFAOYSA-N
XLogP1.55
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126471326) is 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1nc2sccn2c(=O)c1C(=O)N1CCCC1.
What is the InChIKey of 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YSIHEJNBHMJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9-10(11(17)15-5-3-4-6-15)12(18)16-7-8-19-13(16)14-9/h7-8H,2-6H2,1H3.
What are the key properties of 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126471326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).