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

C15H17N3O4S — CID 4291416

IUPACmethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1
InChIInChI=1S/C15H17N3O4S/c1-9-8-23-15-16-7-11(13(20)18(9)15)12(19)17-5-3-10(4-6-17)14(21)22-2/h7-8,10H,3-6H2,1-2H3
InChIKeyYWUXLGSIYZWGGG-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.09
Rot. Bonds2

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

methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 4291416) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID4291416
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1
InChIInChI=1S/C15H17N3O4S/c1-9-8-23-15-16-7-11(13(20)18(9)15)12(19)17-5-3-10(4-6-17)14(21)22-2/h7-8,10H,3-6H2,1-2H3
InChIKeyYWUXLGSIYZWGGG-UHFFFAOYSA-N
XLogP1.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
methyl 1-(2-(6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044831
3-Methyl-6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3340239
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 3442391
1-(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 3528451
Ethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 3592001
Methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4293959
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 5239153
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8741654
ethyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867723

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 4291416) is methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1.
What is the InChIKey of methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is YWUXLGSIYZWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-8-23-15-16-7-11(13(20)18(9)15)12(19)17-5-3-10(4-6-17)14(21)22-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4291416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).