5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N5O2S — CID 20942670

IUPAC5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O
InChIInChI=1S/C14H19N5O2S/c1-9(2)16-11(20)10-8-15-13-19(12(10)21)17-14(22-13)18-6-4-3-5-7-18/h8-9H,3-7H2,1-2H3,(H,16,20)
InChIKeyOVQCHGLWIFGZBJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.28
Rot. Bonds3

About 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942670) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942670
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O
InChIInChI=1S/C14H19N5O2S/c1-9(2)16-11(20)10-8-15-13-19(12(10)21)17-14(22-13)18-6-4-3-5-7-18/h8-9H,3-7H2,1-2H3,(H,16,20)
InChIKeyOVQCHGLWIFGZBJ-UHFFFAOYSA-N
XLogP1.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942670) is 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)NC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O.
What is the InChIKey of 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OVQCHGLWIFGZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9(2)16-11(20)10-8-15-13-19(12(10)21)17-14(22-13)18-6-4-3-5-7-18/h8-9H,3-7H2,1-2H3,(H,16,20).
What are the key properties of 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).