7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15N3O2S — CID 50848344

IUPAC7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(CC(=O)N3CCCC3)csc2n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,8H,2-5,7H2,1H3
InChIKeyUDEAMXDMYNJBJQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.23
Rot. Bonds2

About 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50848344) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID50848344
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(CC(=O)N3CCCC3)csc2n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,8H,2-5,7H2,1H3
InChIKeyUDEAMXDMYNJBJQ-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 50848343
7-Methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50848345
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
7-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867872
N-ethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867894
7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470619
7-Ethyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126471326
2,7-Dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12324930
7-Propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17122073
7-Ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86221255
2-Ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 142649002
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate
CID 7915873

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 50848344) is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(CC(=O)N3CCCC3)csc2n1.
What is the InChIKey of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UDEAMXDMYNJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,8H,2-5,7H2,1H3.
What are the key properties of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50848344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).