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

C16H24N6O2S — CID 46338030

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

N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46338030) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 46338030
• Molecular Formula: C16H24N6O2S
• Molecular Weight: 364.48 g/mol
• Exact Mass: 364.17
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1CCCN(c2nn3c(=O)c(C(=O)NCCN(C)C)cnc3s2)C1
• InChI: InChI=1S/C16H24N6O2S/c1-11-5-4-7-21(10-11)16-19-22-14(24)12(9-18-15(22)25-16)13(23)17-6-8-20(2)3/h9,11H,4-8,10H2,1-3H3,(H,17,23)
• InChIKey: XMDMZFDEWYVVIJ-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.48
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46338030) is N-[2-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CCCN(c2nn3c(=O)c(C(=O)NCCN(C)C)cnc3s2)C1.

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

The InChIKey is XMDMZFDEWYVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-11-5-4-7-21(10-11)16-19-22-14(24)12(9-18-15(22)25-16)13(23)17-6-8-20(2)3/h9,11H,4-8,10H2,1-3H3,(H,17,23).

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

N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 364.48 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).