methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

C15H20N4O3S — CID 21163771

IUPACmethyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sc(N3C(C)(C)CCC3(C)C)nn12
InChIInChI=1S/C15H20N4O3S/c1-14(2)6-7-15(3,4)19(14)13-17-18-9(11(21)22-5)8-10(20)16-12(18)23-13/h8H,6-7H2,1-5H3
InChIKeyBJVYOIKDKIRDGJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.10
Rot. Bonds2

About methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 21163771) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID21163771
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Namemethyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sc(N3C(C)(C)CCC3(C)C)nn12
InChIInChI=1S/C15H20N4O3S/c1-14(2)6-7-15(3,4)19(14)13-17-18-9(11(21)22-5)8-10(20)16-12(18)23-13/h8H,6-7H2,1-5H3
InChIKeyBJVYOIKDKIRDGJ-UHFFFAOYSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 2-pyrrolidino-7H-1,3,4-thiadiazolo-[3,2-a]pyrimidin-7-one-5-carboxylate
CID 12899659
Butyl 2-(2-butylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163767
Methyl 2-(3-methylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163776

Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (CID 21163771) is methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)nc2sc(N3C(C)(C)CCC3(C)C)nn12.
What is the InChIKey of methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is BJVYOIKDKIRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-14(2)6-7-15(3,4)19(14)13-17-18-9(11(21)22-5)8-10(20)16-12(18)23-13/h8H,6-7H2,1-5H3.
What are the key properties of methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-2-(2,2,5,5-tetramethylpyrrolidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21163771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).