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

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

N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 20893106) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID	20893106
Molecular Formula	C16H23N5O3S
Molecular Weight	365.46 g/mol
Exact Mass	365.15
IUPAC Name	N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILES	CCOCCCNC(=O)C1CCCN1c1nn2c(=O)cc(C)nc2s1
InChI	InChI=1S/C16H23N5O3S/c1-3-24-9-5-7-17-14(23)12-6-4-8-20(12)16-19-21-13(22)10-11(2)18-15(21)25-16/h10,12H,3-9H2,1-2H3,(H,17,23)
InChIKey	LUKVEYPNXIVBMU-UHFFFAOYSA-N
XLogP	0.97
TPSA	88.83 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	0.97
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 N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 20893106) is N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is CCOCCCNC(=O)C1CCCN1c1nn2c(=O)cc(C)nc2s1.

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

The InChIKey is LUKVEYPNXIVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-24-9-5-7-17-14(23)12-6-4-8-20(12)16-19-21-13(22)10-11(2)18-15(21)25-16/h10,12H,3-9H2,1-2H3,(H,17,23).

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

N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 20893106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).