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

C14H19N3OS — CID 47057384

IUPAC7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H19N3OS/c1-2-11-3-5-16(6-4-11)10-12-9-13(18)17-7-8-19-14(17)15-12/h7-9,11H,2-6,10H2,1H3
InChIKeyYKPQURBSPXQPPL-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.38
Rot. Bonds3

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

7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47057384) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47057384
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H19N3OS/c1-2-11-3-5-16(6-4-11)10-12-9-13(18)17-7-8-19-14(17)15-12/h7-9,11H,2-6,10H2,1H3
InChIKeyYKPQURBSPXQPPL-UHFFFAOYSA-N
XLogP2.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-ethylpiperidin-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-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47057384) is 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YKPQURBSPXQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-11-3-5-16(6-4-11)10-12-9-13(18)17-7-8-19-14(17)15-12/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47057384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).