6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15N3O2S — CID 3591999

IUPAC6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H15N3O2S/c1-9-2-4-15(5-3-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,2-5H2,1H3
InChIKeyUQDLFKGVJXVBNF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds1

About 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3591999) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3591999
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C13H15N3O2S/c1-9-2-4-15(5-3-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,2-5H2,1H3
InChIKeyUQDLFKGVJXVBNF-UHFFFAOYSA-N
XLogP1.63
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
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-(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-[3-(Trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24652491
6-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30605958
6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30605960
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
N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42920026

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3591999) is 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UQDLFKGVJXVBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-2-4-15(5-3-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,2-5H2,1H3.
What are the key properties of 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3591999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).