N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide

C19H17N5OS — CID 17335099

About N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide

N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide (PubChem CID 17335099) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide
• PubChem CID: 17335099
• Molecular Formula: C19H17N5OS
• Molecular Weight: 363.45 g/mol
• Exact Mass: 363.12
• IUPAC Name: N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide
• SMILES: CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4C)c3)nn12
• InChI: InChI=1S/C19H17N5OS/c1-3-16-21-22-19-24(16)23-18(26-19)13-8-6-9-14(11-13)20-17(25)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,20,25)
• InChIKey: JCBFIJXNLKLQHL-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.45
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide (CID 17335099) is N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide.

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

The canonical SMILES for N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide is CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4C)c3)nn12.

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

The InChIKey is JCBFIJXNLKLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-3-16-21-22-19-24(16)23-18(26-19)13-8-6-9-14(11-13)20-17(25)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,20,25).

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

N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide has a molecular weight of 363.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 17335099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).