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

C12H16N4OS — CID 22197645

IUPAC7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4OS/c1-14-2-4-15(5-3-14)9-10-8-11(17)16-6-7-18-12(16)13-10/h6-8H,2-5,9H2,1H3
InChIKeyLFWGHPMADIPWPX-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.50
Rot. Bonds2

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

7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 22197645) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID22197645
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4OS/c1-14-2-4-15(5-3-14)9-10-8-11(17)16-6-7-18-12(16)13-10/h6-8H,2-5,9H2,1H3
InChIKeyLFWGHPMADIPWPX-UHFFFAOYSA-N
XLogP0.50
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 22197645) is 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LFWGHPMADIPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-14-2-4-15(5-3-14)9-10-8-11(17)16-6-7-18-12(16)13-10/h6-8H,2-5,9H2,1H3.
What are the key properties of 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 22197645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).