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

C16H21N3O2S — CID 126469916

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12
InChIInChI=1S/C16H21N3O2S/c1-4-12-9-22-16-17-6-13(15(21)19(12)16)14(20)18-7-10(2)5-11(3)8-18/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyHXSMRCGADZLXMU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.44
Rot. Bonds2

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

6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469916) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469916
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12
InChIInChI=1S/C16H21N3O2S/c1-4-12-9-22-16-17-6-13(15(21)19(12)16)14(20)18-7-10(2)5-11(3)8-18/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyHXSMRCGADZLXMU-UHFFFAOYSA-N
XLogP2.44
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-Dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469662
6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
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
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
3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363971
3-Ethyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469954
3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470064
6-(3,5-Dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470065

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469916) is 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HXSMRCGADZLXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-12-9-22-16-17-6-13(15(21)19(12)16)14(20)18-7-10(2)5-11(3)8-18/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 319.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).