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

C14H17N3O2S2 — CID 126469716

IUPAC7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H17N3O2S2/c1-2-20-11-10(12(18)16-6-4-3-5-7-16)13(19)17-8-9-21-14(17)15-11/h8-9H,2-7H2,1H3
InChIKeyDJRULLZEPGNJHT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.49
Rot. Bonds3

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

7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126469716) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126469716
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H17N3O2S2/c1-2-20-11-10(12(18)16-6-4-3-5-7-16)13(19)17-8-9-21-14(17)15-11/h8-9H,2-7H2,1H3
InChIKeyDJRULLZEPGNJHT-UHFFFAOYSA-N
XLogP2.49
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
N-cyclohexyl-N-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5165321
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
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
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-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300
5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363934

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126469716) is 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCSc1nc2sccn2c(=O)c1C(=O)N1CCCCC1.
What is the InChIKey of 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DJRULLZEPGNJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-20-11-10(12(18)16-6-4-3-5-7-16)13(19)17-8-9-21-14(17)15-11/h8-9H,2-7H2,1H3.
What are the key properties of 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126469716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).