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

C18H20N6O2S — CID 92724251

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

2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 92724251) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 92724251
• Molecular Formula: C18H20N6O2S
• Molecular Weight: 384.47 g/mol
• Exact Mass: 384.14
• IUPAC Name: 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: C[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4cccnc4)cnc3s2)C1
• InChI: InChI=1S/C18H20N6O2S/c1-12-4-3-7-23(11-12)18-22-24-16(26)14(10-21-17(24)27-18)15(25)20-9-13-5-2-6-19-8-13/h2,5-6,8,10,12H,3-4,7,9,11H2,1H3,(H,20,25)/t12-/m1/s1
• InChIKey: QFBVXHARCYAFIQ-GFCCVEGCSA-N
• XLogP: 1.71
• TPSA: 92.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.47
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 92724251) is 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is C[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4cccnc4)cnc3s2)C1.

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

The InChIKey is QFBVXHARCYAFIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12-4-3-7-23(11-12)18-22-24-16(26)14(10-21-17(24)27-18)15(25)20-9-13-5-2-6-19-8-13/h2,5-6,8,10,12H,3-4,7,9,11H2,1H3,(H,20,25)/t12-/m1/s1.

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

2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 92724251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).