7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H23N3O2S — CID 16868208

IUPAC7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23N3O2S/c1-3-12-8-15(21)19-13(10-22-16(19)17-12)9-14(20)18-6-4-11(2)5-7-18/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyOAOLSGASUKAUCO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.10
Rot. Bonds3

About 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868208) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868208
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23N3O2S/c1-3-12-8-15(21)19-13(10-22-16(19)17-12)9-14(20)18-6-4-11(2)5-7-18/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyOAOLSGASUKAUCO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868214
3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868394
7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867885
3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868396
7-tert-butyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868774
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868298
N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868246
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16868261
6-(4-methylphenyl)-12-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16860866
6-(2-methylphenyl)-12-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16859290
3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867716
N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868488

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868208) is 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C)CC1.
What is the InChIKey of 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OAOLSGASUKAUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-12-8-15(21)19-13(10-22-16(19)17-12)9-14(20)18-6-4-11(2)5-7-18/h8,11,13H,3-7,9-10H2,1-2H3.
What are the key properties of 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).