2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide

C18H13ClN4O2S — CID 108752707

About 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide

2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (PubChem CID 108752707) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
• PubChem CID: 108752707
• Molecular Formula: C18H13ClN4O2S
• Molecular Weight: 384.85 g/mol
• Exact Mass: 384.04
• IUPAC Name: 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
• SMILES: COc1cccc(-c2csc3nc(NC(=O)c4ccccc4Cl)nn23)c1
• InChI: InChI=1S/C18H13ClN4O2S/c1-25-12-6-4-5-11(9-12)15-10-26-18-21-17(22-23(15)18)20-16(24)13-7-2-3-8-14(13)19/h2-10H,1H3,(H,20,22,24)
• InChIKey: YJOQQMDVSCHHPK-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 68.52 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	384.85
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (CID 108752707) is 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is COc1cccc(-c2csc3nc(NC(=O)c4ccccc4Cl)nn23)c1.

What is the InChIKey of 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?

The InChIKey is YJOQQMDVSCHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-25-12-6-4-5-11(9-12)15-10-26-18-21-17(22-23(15)18)20-16(24)13-7-2-3-8-14(13)19/h2-10H,1H3,(H,20,22,24).

What are the key properties of 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?

2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide has a molecular weight of 384.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is sourced from PubChem (CID 108752707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).