N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide

C21H15N5OS — CID 6490684

About N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide

N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 6490684) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide
• PubChem CID: 6490684
• Molecular Formula: C21H15N5OS
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.10
• IUPAC Name: N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide
• SMILES: Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc4ccccc4c3)nn12
• InChI: InChI=1S/C21H15N5OS/c1-13-23-24-21-26(13)25-20(28-21)17-8-4-5-9-18(17)22-19(27)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,22,27)
• InChIKey: GFLQYFOONUEBGE-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide (CID 6490684) is N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide is Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc4ccccc4c3)nn12.

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

The InChIKey is GFLQYFOONUEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-13-23-24-21-26(13)25-20(28-21)17-8-4-5-9-18(17)22-19(27)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,22,27).

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

N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 6490684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).