ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

C16H22N4O3S — CID 21163769

IUPACethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sc(N3C(C)CC(C)CC3C)nn12
InChIInChI=1S/C16H22N4O3S/c1-5-23-14(22)12-8-13(21)17-15-20(12)18-16(24-15)19-10(3)6-9(2)7-11(19)4/h8-11H,5-7H2,1-4H3
InChIKeyWDHJQGNBHBOQNI-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.34
Rot. Bonds3

About ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 21163769) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID21163769
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Nameethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sc(N3C(C)CC(C)CC3C)nn12
InChIInChI=1S/C16H22N4O3S/c1-5-23-14(22)12-8-13(21)17-15-20(12)18-16(24-15)19-10(3)6-9(2)7-11(19)4/h8-11H,5-7H2,1-4H3
InChIKeyWDHJQGNBHBOQNI-UHFFFAOYSA-N
XLogP2.34
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-piperidino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 12899660
Ethyl 2-(azepan-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 12899671
Butyl 2-(2-butylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163767
Ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163777
Ethyl 5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylate
CID 70572558
Ethyl 2-(4-butylpiperazin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 153768013

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (CID 21163769) is ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(=O)nc2sc(N3C(C)CC(C)CC3C)nn12.
What is the InChIKey of ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is WDHJQGNBHBOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-5-23-14(22)12-8-13(21)17-15-20(12)18-16(24-15)19-10(3)6-9(2)7-11(19)4/h8-11H,5-7H2,1-4H3.
What are the key properties of ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21163769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).