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

C14H19N3O3S — CID 47910889

IUPAC6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C14H19N3O3S/c1-2-20-10-4-3-5-16(9-10)12(18)11-8-15-14-17(13(11)19)6-7-21-14/h8,10H,2-7,9H2,1H3
InChIKeyPPCABKWTAODSDS-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.99
Rot. Bonds3

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

6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47910889) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47910889
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C14H19N3O3S/c1-2-20-10-4-3-5-16(9-10)12(18)11-8-15-14-17(13(11)19)6-7-21-14/h8,10H,2-7,9H2,1H3
InChIKeyPPCABKWTAODSDS-UHFFFAOYSA-N
XLogP0.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[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-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47910889) is 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCOC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1.
What is the InChIKey of 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PPCABKWTAODSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-20-10-4-3-5-16(9-10)12(18)11-8-15-14-17(13(11)19)6-7-21-14/h8,10H,2-7,9H2,1H3.
What are the key properties of 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47910889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).