6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H23N3O2S — CID 16869155

IUPAC6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-3-13-11(2)17-16-19(15(13)21)12(10-22-16)9-14(20)18-7-5-4-6-8-18/h12H,3-10H2,1-2H3
InChIKeyKDQZVMAHPRHMFQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.16
Rot. Bonds3

About 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16869155) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16869155
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-3-13-11(2)17-16-19(15(13)21)12(10-22-16)9-14(20)18-7-5-4-6-8-18/h12H,3-10H2,1-2H3
InChIKeyKDQZVMAHPRHMFQ-UHFFFAOYSA-N
XLogP2.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

3-ethyl-6-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4155265
2-((2-(2-ethylpiperidin-1-yl)-2-oxoethyl)thio)-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 5156913
3-ethyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430827
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135460585
3-ethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430826
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430777
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
12-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-2-one
CID 44044867
3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-5(3H)-one
CID 44044873

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16869155) is 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1)CS2.
What is the InChIKey of 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KDQZVMAHPRHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-13-11(2)17-16-19(15(13)21)12(10-22-16)9-14(20)18-7-5-4-6-8-18/h12H,3-10H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16869155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).