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

C15H20N4O3S — CID 16868011

IUPAC3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C15H20N4O3S/c1-10-7-14(22)19-12(9-23-15(19)16-10)8-13(21)18-5-3-17(4-6-18)11(2)20/h7,12H,3-6,8-9H2,1-2H3
InChIKeyWUNZBUPRELPGEQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.28
Rot. Bonds2

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

3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868011) 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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868011
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)N1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C15H20N4O3S/c1-10-7-14(22)19-12(9-23-15(19)16-10)8-13(21)18-5-3-17(4-6-18)11(2)20/h7,12H,3-6,8-9H2,1-2H3
InChIKeyWUNZBUPRELPGEQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868011) is 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-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]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)N1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1.
What is the InChIKey of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WUNZBUPRELPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-7-14(22)19-12(9-23-15(19)16-10)8-13(21)18-5-3-17(4-6-18)11(2)20/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).