5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C17H19N5O2S2 — CID 20942683

About 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942683) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 20942683
• Molecular Formula: C17H19N5O2S2
• Molecular Weight: 389.51 g/mol
• Exact Mass: 389.10
• IUPAC Name: 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCCc1cccs1)c1cnc2sc(N3CCCCC3)nn2c1=O
• InChI: InChI=1S/C17H19N5O2S2/c23-14(18-7-6-12-5-4-10-25-12)13-11-19-16-22(15(13)24)20-17(26-16)21-8-2-1-3-9-21/h4-5,10-11H,1-3,6-9H2,(H,18,23)
• InChIKey: DOGLYKICHVYBOF-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.51
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942683) is 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCc1cccs1)c1cnc2sc(N3CCCCC3)nn2c1=O.

What is the InChIKey of 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is DOGLYKICHVYBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c23-14(18-7-6-12-5-4-10-25-12)13-11-19-16-22(15(13)24)20-17(26-16)21-8-2-1-3-9-21/h4-5,10-11H,1-3,6-9H2,(H,18,23).

What are the key properties of 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 389.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).