6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H21N3O2S2 — CID 126470065

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H21N3O2S2/c1-4-22-13-12(15(21)19-5-6-23-16(19)17-13)14(20)18-8-10(2)7-11(3)9-18/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyQVEXIMJCKLIUQL-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.99
Rot. Bonds3

About 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470065) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470065
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H21N3O2S2/c1-4-22-13-12(15(21)19-5-6-23-16(19)17-13)14(20)18-8-10(2)7-11(3)9-18/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyQVEXIMJCKLIUQL-UHFFFAOYSA-N
XLogP2.99
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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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-(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
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
7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469273
7-Ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469716
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469916
6-(3,5-Dimethylpiperidine-1-carbonyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470195

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470065) is 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QVEXIMJCKLIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-4-22-13-12(15(21)19-5-6-23-16(19)17-13)14(20)18-8-10(2)7-11(3)9-18/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 351.50 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).