N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

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

N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46338047) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	46338047
Molecular Formula	C15H21N5O3S
Molecular Weight	351.43 g/mol
Exact Mass	351.14
IUPAC Name	N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	COCCNC(=O)c1cnc2sc(N3CCCC(C)C3)nn2c1=O
InChI	InChI=1S/C15H21N5O3S/c1-10-4-3-6-19(9-10)15-18-20-13(22)11(8-17-14(20)24-15)12(21)16-5-7-23-2/h8,10H,3-7,9H2,1-2H3,(H,16,21)
InChIKey	RRJHTLAPLZDYQJ-UHFFFAOYSA-N
XLogP	0.76
TPSA	88.83 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.43
LogP ≤ 5	0.76
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-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46338047) is N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)c1cnc2sc(N3CCCC(C)C3)nn2c1=O.

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

The InChIKey is RRJHTLAPLZDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-10-4-3-6-19(9-10)15-18-20-13(22)11(8-17-14(20)24-15)12(21)16-5-7-23-2/h8,10H,3-7,9H2,1-2H3,(H,16,21).

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

N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).