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

C14H15N3O4S — CID 4293959

IUPACmethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H15N3O4S/c1-21-13(20)9-2-4-16(5-3-9)11(18)10-8-15-14-17(12(10)19)6-7-22-14/h6-9H,2-5H2,1H3
InChIKeyVTIKQYSABHSPKY-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.78
Rot. Bonds2

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

methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 4293959) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID4293959
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Namemethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H15N3O4S/c1-21-13(20)9-2-4-16(5-3-9)11(18)10-8-15-14-17(12(10)19)6-7-22-14/h6-9H,2-5H2,1H3
InChIKeyVTIKQYSABHSPKY-UHFFFAOYSA-N
XLogP0.78
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
6-(3,5-Dimethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293960
methyl 1-(2-(6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044831
6-(3-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591998
Ethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 3592000
Ethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 3592001
Methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4291416
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 4464689
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 5239153
methyl 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 9143584
ethyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867723
methyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867724

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 4293959) is methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is VTIKQYSABHSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-21-13(20)9-2-4-16(5-3-9)11(18)10-8-15-14-17(12(10)19)6-7-22-14/h6-9H,2-5H2,1H3.
What are the key properties of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 321.36 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4293959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).