N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C19H21N5O3S — CID 20942673

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

N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942673) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 20942673
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)c1
• InChI: InChI=1S/C19H21N5O3S/c1-27-14-7-5-6-13(10-14)11-20-16(25)15-12-21-18-24(17(15)26)22-19(28-18)23-8-3-2-4-9-23/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,20,25)
• InChIKey: NUWDVZVHTXSJSF-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942673) is N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc(CNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)c1.

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

The InChIKey is NUWDVZVHTXSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-27-14-7-5-6-13(10-14)11-20-16(25)15-12-21-18-24(17(15)26)22-19(28-18)23-8-3-2-4-9-23/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,20,25).

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

N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).