3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H23N3O2S — CID 16867882

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H23N3O2S/c1-10-4-11(2)8-18(7-10)14(20)6-13-9-22-16-17-12(3)5-15(21)19(13)16/h5,10-11,13H,4,6-9H2,1-3H3
InChIKeyRUKSNGWQJKVPBV-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.09
Rot. Bonds2

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867882) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867882
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H23N3O2S/c1-10-4-11(2)8-18(7-10)14(20)6-13-9-22-16-17-12(3)5-15(21)19(13)16/h5,10-11,13H,4,6-9H2,1-3H3
InChIKeyRUKSNGWQJKVPBV-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16254009
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxamide
CID 16868016
3-{2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl}-6,7-dimethyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155976686
7-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867872
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868011
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-isopropyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868753
7-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8002895
7-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8002896
7-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8002897
3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867716

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867882) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RUKSNGWQJKVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-4-11(2)8-18(7-10)14(20)6-13-9-22-16-17-12(3)5-15(21)19(13)16/h5,10-11,13H,4,6-9H2,1-3H3.
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.45 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).