3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

C18H15N5O2S — CID 22517762

About 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide (PubChem CID 22517762) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
• PubChem CID: 22517762
• Molecular Formula: C18H15N5O2S
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.09
• IUPAC Name: 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
• SMILES: COc1cccc(C(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)c1
• InChI: InChI=1S/C18H15N5O2S/c1-11-5-3-6-12(9-11)15-20-21-18-23(15)22-17(26-18)19-16(24)13-7-4-8-14(10-13)25-2/h3-10H,1-2H3,(H,19,22,24)
• InChIKey: FDARLYFLDOUMTD-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.42
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?

The IUPAC name of 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide (CID 22517762) is 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide.

What is the SMILES notation for 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?

The canonical SMILES for 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide is COc1cccc(C(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)c1.

What is the InChIKey of 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?

The InChIKey is FDARLYFLDOUMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-5-3-6-12(9-11)15-20-21-18-23(15)22-17(26-18)19-16(24)13-7-4-8-14(10-13)25-2/h3-10H,1-2H3,(H,19,22,24).

What are the key properties of 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?

3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide has a molecular weight of 365.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide is sourced from PubChem (CID 22517762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).