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

C13H18N4O2S — CID 16867728

IUPAC3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C13H18N4O2S/c1-15-4-6-16(7-5-15)12(19)8-10-9-20-13-14-3-2-11(18)17(10)13/h2-3,10H,4-9H2,1H3
InChIKeyWLGMNJXRSWTNMH-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.05
Rot. Bonds2

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

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867728) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867728
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C13H18N4O2S/c1-15-4-6-16(7-5-15)12(19)8-10-9-20-13-14-3-2-11(18)17(10)13/h2-3,10H,4-9H2,1H3
InChIKeyWLGMNJXRSWTNMH-UHFFFAOYSA-N
XLogP0.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867728) is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WLGMNJXRSWTNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-15-4-6-16(7-5-15)12(19)8-10-9-20-13-14-3-2-11(18)17(10)13/h2-3,10H,4-9H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.38 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).