6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15N3O2S — CID 3591998

IUPAC6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h5-7,9H,2-4,8H2,1H3
InChIKeyJTFALPFTWKKZBF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds1

About 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3591998) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3591998
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H15N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h5-7,9H,2-4,8H2,1H3
InChIKeyJTFALPFTWKKZBF-UHFFFAOYSA-N
XLogP1.63
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylpiperidine-1-carbonyl)-[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 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3591998) is 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCCN(C(=O)c2cnc3sccn3c2=O)C1.
What is the InChIKey of 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JTFALPFTWKKZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3591998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).