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

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

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 20893102) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID	20893102
Molecular Formula	C18H24N6O3S
Molecular Weight	404.50 g/mol
Exact Mass	404.16
IUPAC Name	1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILES	Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCC3=O)sc2n1
InChI	InChI=1S/C18H24N6O3S/c1-12-11-15(26)24-17(20-12)28-18(21-24)23-10-2-5-13(23)16(27)19-7-4-9-22-8-3-6-14(22)25/h11,13H,2-10H2,1H3,(H,19,27)
InChIKey	JHCRZTNZQKWPMM-UHFFFAOYSA-N
XLogP	0.56
TPSA	99.91 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	404.50
LogP ≤ 5	0.56
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-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide (CID 20893102) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]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-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCC3=O)sc2n1.

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

The InChIKey is JHCRZTNZQKWPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-12-11-15(26)24-17(20-12)28-18(21-24)23-10-2-5-13(23)16(27)19-7-4-9-22-8-3-6-14(22)25/h11,13H,2-10H2,1H3,(H,19,27).

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

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 0.56, 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-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 20893102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).