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

C13H17N3OS — CID 2655084

IUPAC7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3
InChIKeyXFMSMLRPVGIHCH-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.99
Rot. Bonds2

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

7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2655084) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2655084
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3
InChIKeyXFMSMLRPVGIHCH-UHFFFAOYSA-N
XLogP1.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2655084) is 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XFMSMLRPVGIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)9-11-8-12(17)16-6-7-18-13(16)14-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2655084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).