3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H25N3O2S — CID 16868969

IUPAC3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1C(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C17H25N3O2S/c1-4-13-7-5-6-8-19(13)15(21)9-14-10-23-17-18-12(3)11(2)16(22)20(14)17/h13-14H,4-10H2,1-3H3
InChIKeyCNAKXDXIMFAKAH-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.69
Rot. Bonds3

About 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868969) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868969
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1C(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C17H25N3O2S/c1-4-13-7-5-6-8-19(13)15(21)9-14-10-23-17-18-12(3)11(2)16(22)20(14)17/h13-14H,4-10H2,1-3H3
InChIKeyCNAKXDXIMFAKAH-UHFFFAOYSA-N
XLogP2.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868779
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868977
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-ethoxypropyl)acetamide
CID 16869006
N-cyclopentyl-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16869198
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 16869093
3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868396
4-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16869144
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42478273
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021621
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 103606127

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868969) is 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CCCCN1C(=O)CC1CSc2nc(C)c(C)c(=O)n21.
What is the InChIKey of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CNAKXDXIMFAKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-13-7-5-6-8-19(13)15(21)9-14-10-23-17-18-12(3)11(2)16(22)20(14)17/h13-14H,4-10H2,1-3H3.
What are the key properties of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).