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

C14H17N3O2S — CID 50848345

IUPAC7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(CC(=O)N3CCCCC3)csc2n1
InChIInChI=1S/C14H17N3O2S/c1-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16-5-3-2-4-6-16/h7,9H,2-6,8H2,1H3
InChIKeyYAZLHDABTOBPKX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.62
Rot. Bonds2

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

7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50848345) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID50848345
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(CC(=O)N3CCCCC3)csc2n1
InChIInChI=1S/C14H17N3O2S/c1-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16-5-3-2-4-6-16/h7,9H,2-6,8H2,1H3
InChIKeyYAZLHDABTOBPKX-UHFFFAOYSA-N
XLogP1.62
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
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-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50848344
6-ethyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561502
3-Methyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4321572
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469916
3-Ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469954
3-Methyl-6-(2-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4607280
3-Methyl-7-[(2-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16380554
7-methyl-3-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867874
7-methyl-3-(2-(3-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 50848345) is 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(CC(=O)N3CCCCC3)csc2n1.
What is the InChIKey of 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YAZLHDABTOBPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16-5-3-2-4-6-16/h7,9H,2-6,8H2,1H3.
What are the key properties of 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.38 g/mol, XLogP of 1.62, 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-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50848345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).