1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 3244045) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID	3244045
Molecular Formula	C19H28N6O2S
Molecular Weight	404.54 g/mol
Exact Mass	404.20
IUPAC Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILES	Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCCC3)sc2n1
InChI	InChI=1S/C19H28N6O2S/c1-14-13-16(26)25-18(21-14)28-19(22-25)24-12-5-7-15(24)17(27)20-8-6-11-23-9-3-2-4-10-23/h13,15H,2-12H2,1H3,(H,20,27)
InChIKey	CRCJRYPVMJPHPX-UHFFFAOYSA-N
XLogP	1.42
TPSA	82.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 3244045) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCCC3)sc2n1.

What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?

The InChIKey is CRCJRYPVMJPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-14-13-16(26)25-18(21-14)28-19(22-25)24-12-5-7-15(24)17(27)20-8-6-11-23-9-3-2-4-10-23/h13,15H,2-12H2,1H3,(H,20,27).

What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3244045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).