ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate

C15H19N3O4S — CID 23826904

IUPACethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H19N3O4S/c1-2-22-14(21)10-3-5-17(6-4-10)12(19)11-9-16-15-18(13(11)20)7-8-23-15/h9-10H,2-8H2,1H3
InChIKeyUWFGHJGDUDQSSA-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.76
Rot. Bonds3

About ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 23826904) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID23826904
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H19N3O4S/c1-2-22-14(21)10-3-5-17(6-4-10)12(19)11-9-16-15-18(13(11)20)7-8-23-15/h9-10H,2-8H2,1H3
InChIKeyUWFGHJGDUDQSSA-UHFFFAOYSA-N
XLogP0.76
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate 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 ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 23826904) is ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is UWFGHJGDUDQSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-22-14(21)10-3-5-17(6-4-10)12(19)11-9-16-15-18(13(11)20)7-8-23-15/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 23826904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).