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

C16H19N3O4S — CID 3442391

IUPACethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnc3scc(C)n3c2=O)C1
InChIInChI=1S/C16H19N3O4S/c1-3-23-15(22)11-5-4-6-18(8-11)13(20)12-7-17-16-19(14(12)21)10(2)9-24-16/h7,9,11H,3-6,8H2,1-2H3
InChIKeyHCKALLJGCIJWLZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.48
Rot. Bonds3

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

ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (PubChem CID 3442391) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
PubChem CID3442391
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Nameethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnc3scc(C)n3c2=O)C1
InChIInChI=1S/C16H19N3O4S/c1-3-23-15(22)11-5-4-6-18(8-11)13(20)12-7-17-16-19(14(12)21)10(2)9-24-16/h7,9,11H,3-6,8H2,1-2H3
InChIKeyHCKALLJGCIJWLZ-UHFFFAOYSA-N
XLogP1.48
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (CID 3442391) is ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnc3scc(C)n3c2=O)C1.
What is the InChIKey of ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The InChIKey is HCKALLJGCIJWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-23-15(22)11-5-4-6-18(8-11)13(20)12-7-17-16-19(14(12)21)10(2)9-24-16/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3442391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).