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

C13H17N3O2S — CID 16867872

IUPAC7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,10H,2-5,7-8H2,1H3
InChIKeyBJBQWHYTRIJZDQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.21
Rot. Bonds2

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

7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867872) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867872
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,10H,2-5,7-8H2,1H3
InChIKeyBJBQWHYTRIJZDQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867872) is 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC1.
What is the InChIKey of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BJBQWHYTRIJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-6-12(18)16-10(8-19-13(16)14-9)7-11(17)15-4-2-3-5-15/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.36 g/mol, XLogP of 1.21, 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)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).