5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide

C16H11BrN6O2S — CID 17163066

About 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 17163066) has the molecular formula C16H11BrN6O2S and a molecular weight of 431.28 g/mol. Its IUPAC name is 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 17163066
• Molecular Formula: C16H11BrN6O2S
• Molecular Weight: 431.28 g/mol
• Exact Mass: 429.98
• IUPAC Name: 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide
• SMILES: COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cncc(Br)c1
• InChI: InChI=1S/C16H11BrN6O2S/c1-25-13-3-2-9(15-22-23-8-19-21-16(23)26-15)5-12(13)20-14(24)10-4-11(17)7-18-6-10/h2-8H,1H3,(H,20,24)
• InChIKey: CCJGVMJKCPPYLR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.28
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide (CID 17163066) is 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide is COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cncc(Br)c1.

What is the InChIKey of 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is CCJGVMJKCPPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN6O2S/c1-25-13-3-2-9(15-22-23-8-19-21-16(23)26-15)5-12(13)20-14(24)10-4-11(17)7-18-6-10/h2-8H,1H3,(H,20,24).

What are the key properties of 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide?

5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 17163066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).