5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

About 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942852) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	20942852
Molecular Formula	C17H22N6O3S
Molecular Weight	390.47 g/mol
Exact Mass	390.15
IUPAC Name	5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	O=C(NCCCN1CCCC1=O)c1cnc2sc(N3CCCC3)nn2c1=O
InChI	InChI=1S/C17H22N6O3S/c24-13-5-3-9-21(13)10-4-6-18-14(25)12-11-19-16-23(15(12)26)20-17(27-16)22-7-1-2-8-22/h11H,1-10H2,(H,18,25)
InChIKey	UETACPSFNPUCSU-UHFFFAOYSA-N
XLogP	0.49
TPSA	99.91 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	0.49
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 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942852) is 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc2sc(N3CCCC3)nn2c1=O.

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

The InChIKey is UETACPSFNPUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c24-13-5-3-9-21(13)10-4-6-18-14(25)12-11-19-16-23(15(12)26)20-17(27-16)22-7-1-2-8-22/h11H,1-10H2,(H,18,25).

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

5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).