2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C16H11Cl2N5OS2 — CID 31805703

About 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 31805703) has the molecular formula C16H11Cl2N5OS2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 31805703
• Molecular Formula: C16H11Cl2N5OS2
• Molecular Weight: 424.34 g/mol
• Exact Mass: 422.98
• IUPAC Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2nc(NC(=O)CSc3nnc4c(Cl)cc(Cl)cn34)sc2c1
• InChI: InChI=1S/C16H11Cl2N5OS2/c1-8-2-3-11-12(4-8)26-15(19-11)20-13(24)7-25-16-22-21-14-10(18)5-9(17)6-23(14)16/h2-6H,7H2,1H3,(H,19,20,24)
• InChIKey: WXXOVQDXIDLDMJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 72.18 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	424.34
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 31805703) is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nnc4c(Cl)cc(Cl)cn34)sc2c1.

What is the InChIKey of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is WXXOVQDXIDLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5OS2/c1-8-2-3-11-12(4-8)26-15(19-11)20-13(24)7-25-16-22-21-14-10(18)5-9(17)6-23(14)16/h2-6H,7H2,1H3,(H,19,20,24).

What are the key properties of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 424.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 31805703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).