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

C14H17N3O2S — CID 126469954

IUPAC3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-2-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-3-5-7-16/h8-9H,2-7H2,1H3
InChIKeyYQECHMNGJFGXPP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.94
Rot. Bonds2

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

3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469954) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469954
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-2-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-3-5-7-16/h8-9H,2-7H2,1H3
InChIKeyYQECHMNGJFGXPP-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
6-(2-methylpiperidine-1-carbonyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 4397080
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
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
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
6-(3,5-Dimethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293960
3-Methyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4321572
6-(1-azepanylcarbonyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5223501
6-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469954) is 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1csc2ncc(C(=O)N3CCCCC3)c(=O)n12.
What is the InChIKey of 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YQECHMNGJFGXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-3-5-7-16/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).