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

C17H24N4O3S — CID 16868753

IUPAC3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC1
InChIInChI=1S/C17H24N4O3S/c1-11(2)14-9-16(24)21-13(10-25-17(21)18-14)8-15(23)20-6-4-19(5-7-20)12(3)22/h9,11,13H,4-8,10H2,1-3H3
InChIKeyVTOAALVAWMUMMY-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.09
Rot. Bonds3

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

3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868753) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868753
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC1
InChIInChI=1S/C17H24N4O3S/c1-11(2)14-9-16(24)21-13(10-25-17(21)18-14)8-15(23)20-6-4-19(5-7-20)12(3)22/h9,11,13H,4-8,10H2,1-3H3
InChIKeyVTOAALVAWMUMMY-UHFFFAOYSA-N
XLogP1.09
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-(propan-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868597
N-isobutyl-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868617
(S)-5-ethyl-3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-6-methyl-1-thia-3a,7-diaza-4-indanone
CID 92461772
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868011
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
N,N-diethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867865
7-methyl-3-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867874
7-methyl-3-(2-(3-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867875
7-methyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867876
3-(2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867882
7-methyl-3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867885

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868753) is 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)N1CCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC1.
What is the InChIKey of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VTOAALVAWMUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11(2)14-9-16(24)21-13(10-25-17(21)18-14)8-15(23)20-6-4-19(5-7-20)12(3)22/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 364.47 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).