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

C15H19N3O4S — CID 94480437

IUPACethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C15H19N3O4S/c1-2-22-14(21)10-4-3-5-17(9-10)12(19)11-8-16-15-18(13(11)20)6-7-23-15/h8,10H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyJAOFRUMWRFXFOG-JTQLQIEISA-N
MW337.40 g/mol
LogP0.76
Rot. Bonds3

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

ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (PubChem CID 94480437) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
PubChem CID94480437
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C15H19N3O4S/c1-2-22-14(21)10-4-3-5-17(9-10)12(19)11-8-16-15-18(13(11)20)6-7-23-15/h8,10H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyJAOFRUMWRFXFOG-JTQLQIEISA-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 (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (3R)-1-[(3S)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97041245
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 115746271
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97105567
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (CID 94480437) is ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1.
What is the InChIKey of ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The InChIKey is JAOFRUMWRFXFOG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-22-14(21)10-4-3-5-17(9-10)12(19)11-8-16-15-18(13(11)20)6-7-23-15/h8,10H,2-7,9H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-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 (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 94480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).