3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H20N4O3S — CID 16868183

IUPAC3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3ncc(C)c(=O)n32)CC1
InChIInChI=1S/C15H20N4O3S/c1-10-8-16-15-19(14(10)22)12(9-23-15)7-13(21)18-5-3-17(4-6-18)11(2)20/h8,12H,3-7,9H2,1-2H3
InChIKeyZOXDEYGCNMBMBI-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.28
Rot. Bonds2

About 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868183) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868183
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3ncc(C)c(=O)n32)CC1
InChIInChI=1S/C15H20N4O3S/c1-10-8-16-15-19(14(10)22)12(9-23-15)7-13(21)18-5-3-17(4-6-18)11(2)20/h8,12H,3-7,9H2,1-2H3
InChIKeyZOXDEYGCNMBMBI-UHFFFAOYSA-N
XLogP0.28
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylpiperidine-1-carbonyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 4397080
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
3-(2-(azepan-1-yl)-2-oxoethyl)-6-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 44044830
6-[4-(2,2-Difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49071085
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867728
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868011
6-methyl-3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868043
1-[2-(6-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 16868188
6-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300
6-Methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44044832
(S)-5-ethyl-3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-6-methyl-1-thia-3a,7-diaza-4-indanone
CID 92461772
2-Methyl-6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469788

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868183) is 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-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]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)N1CCN(C(=O)CC2CSc3ncc(C)c(=O)n32)CC1.
What is the InChIKey of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZOXDEYGCNMBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-8-16-15-19(14(10)22)12(9-23-15)7-13(21)18-5-3-17(4-6-18)11(2)20/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 336.42 g/mol, XLogP of 0.28, 2 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]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).